CID 852120

N-(2-benzoylphenyl)propanamide

Structural Information

Molecular Formula
C16H15NO2
SMILES
CCC(=O)NC1=CC=CC=C1C(=O)C2=CC=CC=C2
InChI
InChI=1S/C16H15NO2/c1-2-15(18)17-14-11-7-6-10-13(14)16(19)12-8-4-3-5-9-12/h3-11H,2H2,1H3,(H,17,18)
InChIKey
PDHKMQNJFRYJPV-UHFFFAOYSA-N
Compound name
N-(2-benzoylphenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

253.11028 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.117556 158.0
[M+Na]+ 276.099498 163.7
[M-H]- 252.103004 164.5
[M+NH4]+ 271.144103 174.2
[M+K]+ 292.073438 160.2
[M+H-H2O]+ 236.107540 150.1
[M+HCOO]- 298.108481 181.5
[M+CH3COO]- 312.124131 197.5
[M+Na-2H]- 274.084946 162.2
[M]+ 253.10973142 157.5
[M]- 253.11082858 157.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe