RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0108912
RefMet namePencycuron
Systematic name1-[(4-chlorophenyl)methyl]-1-cyclopentyl-3-phenyl-urea
SynonymsPubChem Synonyms
Exact mass328.134241 (neutral)
Calculate m/z:   
View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC19H21ClN2OView other entries in RefMet with this formula
Molecular descriptors
Molfile67990 (Download molfile/View MW Metabolite Database details)
InChIInChI=1S/C19H21ClN2O/c20-16-12-10-15(11-13-16)14-22(18-8-4-5-9-18)19(23)21-17-6-2-1-3-7-17/h1-3,6-7,10-13,18H,4-5,8-9,14H2,(H,21,2
3)
InChIKeyOGYFATSSENRIKG-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESc1ccc(cc1)NC(=O)N(Cc1ccc(cc1)Cl)C1CCCC1
Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super ClassBenzenoids
Main ClassBenzenes
Sub ClassN-phenylureas
Distribution of Pencycuron in NMDR studies
SpeciesPlot Species distribution
Sample sourcePlot Sample source(tissue) distribution
PlatformPlatform (MS/NMR) used for detection
ChromatographyChromatography methods used for detection
StudiesNMDR Studies reporting Pencycuron
External Links
Pubchem CID91692
ChEBI ID7957
KEGG IDC11012
EPA CompToxDTXCID1022261
Spectral data for Pencycuron standards
MassBank(EU)View MS spectra
Structural annotation level
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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