CID 723109

N-(3-acetylphenyl)-4-methylbenzamide

Structural Information

Molecular Formula
C16H15NO2
SMILES
CC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C(=O)C
InChI
InChI=1S/C16H15NO2/c1-11-6-8-13(9-7-11)16(19)17-15-5-3-4-14(10-15)12(2)18/h3-10H,1-2H3,(H,17,19)
InChIKey
NAPFMPUJXHVBMU-UHFFFAOYSA-N
Compound name
N-(3-acetylphenyl)-4-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1
Patents

253.11028 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.11756 157.5
[M+Na]+ 276.09950 164.2
[M-H]- 252.10300 164.4
[M+NH4]+ 271.14410 174.0
[M+K]+ 292.07344 160.8
[M+H-H2O]+ 236.10754 149.9
[M+HCOO]- 298.10848 181.1
[M+CH3COO]- 312.12413 198.7
[M+Na-2H]- 274.08495 161.0
[M]+ 253.10973 157.5
[M]- 253.11083 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