CID 3451343

N-(2-acetylphenyl)-4-methylbenzene-1-sulfonamide

Structural Information

Molecular Formula
C15H15NO3S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)C
InChI
InChI=1S/C15H15NO3S/c1-11-7-9-13(10-8-11)20(18,19)16-15-6-4-3-5-14(15)12(2)17/h3-10,16H,1-2H3
InChIKey
BESFPNZPXZYZHI-UHFFFAOYSA-N
Compound name
N-(2-acetylphenyl)-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

289.07727 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.084546 163.7
[M+Na]+ 312.066488 171.6
[M-H]- 288.069994 170.9
[M+NH4]+ 307.111093 179.3
[M+K]+ 328.040428 167.2
[M+H-H2O]+ 272.074530 156.4
[M+HCOO]- 334.075471 182.1
[M+CH3COO]- 348.091121 201.0
[M+Na-2H]- 310.051936 167.2
[M]+ 289.07672142 166.4
[M]- 289.07781858 166.4
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