CID 563797

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

Structural Information

Molecular Formula
C15H15NO3S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)C
InChI
InChI=1S/C15H15NO3S/c1-11-3-9-15(10-4-11)20(18,19)16-14-7-5-13(6-8-14)12(2)17/h3-10,16H,1-2H3
InChIKey
FPXRFFCKWPPNEV-UHFFFAOYSA-N
Compound name
N-(4-acetylphenyl)-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

10
Patents

289.07727 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.08455 163.7
[M+Na]+ 312.06649 171.6
[M-H]- 288.06999 170.9
[M+NH4]+ 307.11109 179.3
[M+K]+ 328.04043 167.2
[M+H-H2O]+ 272.07453 156.4
[M+HCOO]- 334.07547 182.1
[M+CH3COO]- 348.09112 201.0
[M+Na-2H]- 310.05194 167.2
[M]+ 289.07672 166.4
[M]- 289.07782 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