RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0042324
RefMet name1H-Indole-3-acetamide
Systematic name2-(1H-indol-3-yl)acetamide
SynonymsPubChem Synonyms
Exact mass174.079313 (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
FormulaC10H10N2OView other entries in RefMet with this formula
Molecular descriptors
Molfile44027 (Download molfile/View MW Metabolite Database details)
InChIInChI=1S/C10H10N2O/c11-10(13)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,12H,5H2,(H2,11,13)
InChIKeyZOAMBXDOGPRZLP-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESc1ccc2c(c1)c(CC(=O)N)c[nH]2
Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super ClassAlkaloids
Main ClassTryptophan alkaloids
Sub ClassTryptamines
Distribution of 1H-Indole-3-acetamide in NMDR studies
SpeciesPlot Species distribution
Sample sourcePlot Sample source(tissue) distribution
StudiesNMDR Studies reporting 1H-Indole-3-acetamide
External Links
Pubchem CID397
ChEBI ID16031
KEGG IDC02693
HMDB IDHMDB0029739
Chemspider ID386
MetaCyc IDCPD-237
NPAtlas DBNP009584
Spectral data for 1H-Indole-3-acetamide standards
BMRB ID(NMR)View NMR spectra
NP-MRD ID(NMR)View NMR spectra
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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