RefMet Compound Details

RefMet IDRM0038335
MW structure78510 (View MW Metabolite Database details)
RefMet nameAdiphenine
Systematic name2-(diethylamino)ethyl 2,2-diphenylacetate
SMILESCCN(CC)CCOC(=O)C(c1ccccc1)c1ccccc1   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass311.188529 (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
FormulaC20H25NO2View other entries in RefMet with this formula
InChIInChI=1S/C20H25NO2/c1-3-21(4-2)15-16-23-20(22)19(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,19H,3-4,15-16H2,1-2H3
InChIKeyJGOAIQNSOGZNBX-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassBenzenoids
Main ClassBenzenes
Sub ClassDiphenylmethanes
Pubchem CID2031
ChEBI ID94680
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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