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

1
Annotation Hits: 9
References: 429
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]+	226.12265	152.7
[M+Na]+	248.10459	166.5
[M+NH4]+	243.14919	161.8
[M+K]+	264.07853	158.0
[M-H]-	224.10809	158.2
[M+Na-2H]-	246.09004	163.0
[M]+	225.11482	156.3
[M]-	225.11592	156.3

Literature stripe

literature stripe

Patent stripe

patents stripe