CID 2171069

N-(4-acetylphenyl)-2-methylbenzamide

Structural Information

Molecular Formula
C16H15NO2
SMILES
CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)C(=O)C
InChI
InChI=1S/C16H15NO2/c1-11-5-3-4-6-15(11)16(19)17-14-9-7-13(8-10-14)12(2)18/h3-10H,1-2H3,(H,17,19)
InChIKey
IYIKQSKTEPKKFM-UHFFFAOYSA-N
Compound name
N-(4-acetylphenyl)-2-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

2
Patents

253.11028 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.117556 157.5
[M+Na]+ 276.099498 164.2
[M-H]- 252.103004 164.4
[M+NH4]+ 271.144103 174.0
[M+K]+ 292.073438 160.8
[M+H-H2O]+ 236.107540 149.9
[M+HCOO]- 298.108481 181.1
[M+CH3COO]- 312.124131 198.7
[M+Na-2H]- 274.084946 161.0
[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