CID 66856

100-93-6

Structural Information

Molecular Formula
C19H18N2O2S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)NC3=CC=CC=C3
InChI
InChI=1S/C19H18N2O2S/c1-15-7-13-19(14-8-15)24(22,23)21-18-11-9-17(10-12-18)20-16-5-3-2-4-6-16/h2-14,20-21H,1H3
InChIKey
KEZPMZSDLBJCHH-UHFFFAOYSA-N
Compound name
N-(4-anilinophenyl)-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

2516
Patents

338.1089 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.11618 177.7
[M+Na]+ 361.09812 191.9
[M+NH4]+ 356.14272 186.0
[M+K]+ 377.07206 181.8
[M-H]- 337.10162 185.1
[M+Na-2H]- 359.08357 189.5
[M]+ 338.10835 182.5
[M]- 338.10945 182.5
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