CID 95083

N-phenethylbenzamide

Structural Information

Molecular Formula

C₁₅H₁₅NO

SMILES

C1=CC=C(C=C1)CCNC(=O)C2=CC=CC=C2

InChI

InChI=1S/C15H15NO/c17-15(14-9-5-2-6-10-14)16-12-11-13-7-3-1-4-8-13/h1-10H,11-12H2,(H,16,17)

InChIKey

DAVRGGJTJDTVQT-UHFFFAOYSA-N

Compound name

N-(2-phenylethyl)benzamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 9
References: 508
Patents: 225.11537 Da
Monoisotopic Mass: 3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	226.122646	151.1
[M+Na]+	248.104588	156.4
[M-H]-	224.108094	157.2
[M+NH4]+	243.149193	168.3
[M+K]+	264.078528	152.6
[M+H-H2O]+	208.112630	143.3
[M+HCOO]-	270.113571	175.6
[M+CH3COO]-	284.129221	191.3
[M+Na-2H]-	246.090036	157.8
[M]+	225.11482142	149.8
[M]-	225.11591858	149.8

Literature stripe

literature stripe

Patent stripe

patents stripe