RefMet Compound Details

MW structure37942 (View MW Metabolite Database details)
RefMet nameDoxylamine
Systematic namedimethyl({2-[1-phenyl-1-(pyridin-2-yl)ethoxy]ethyl})amine
SMILESCC(c1ccccc1)(c1ccccn1)OCCN(C)C   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass270.173213 (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
FormulaC17H22N2OView other entries in RefMet with this formula
InChIKeyHCFDWZZGGLSKEP-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassBenzenoids
Main ClassBenzenes
Sub ClassBenzylethers
Pubchem CID3162
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)