CID 3042314

59512-16-2

Structural Information

Molecular Formula

C₁₆H₁₅NO₂

SMILES

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

InChI

InChI=1S/C16H15NO2/c1-11(16(17)19)13-8-5-9-14(10-13)15(18)12-6-3-2-4-7-12/h2-11H,1H3,(H2,17,19)

InChIKey

KLWMCJJRUWWDSW-UHFFFAOYSA-N

Compound name

2-(3-benzoylphenyl)propanamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 79
Patents: 253.11028 Da
Monoisotopic Mass: 2.5
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]+	254.117556	158.4
[M+Na]+	276.099498	163.8
[M-H]-	252.103004	164.5
[M+NH4]+	271.144103	174.2
[M+K]+	292.073438	160.6
[M+H-H2O]+	236.107540	150.7
[M+HCOO]-	298.108481	180.4
[M+CH3COO]-	312.124131	198.5
[M+Na-2H]-	274.084946	160.4
[M]+	253.10973142	156.5
[M]-	253.11082858	156.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe