CID 316053

N-phenyl-p-toluenesulfonanilide

Structural Information

Molecular Formula
C19H17NO2S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C19H17NO2S/c1-16-12-14-19(15-13-16)23(21,22)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15H,1H3
InChIKey
VLYSRNWCIRFSSM-UHFFFAOYSA-N
Compound name
4-methyl-N,N-diphenylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

19
Patents

323.098 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.10528 174.4
[M+Na]+ 346.08722 181.5
[M-H]- 322.09072 185.4
[M+NH4]+ 341.13182 188.6
[M+K]+ 362.06116 176.6
[M+H-H2O]+ 306.09526 165.4
[M+HCOO]- 368.09620 194.0
[M+CH3COO]- 382.11185 209.0
[M+Na-2H]- 344.07267 179.4
[M]+ 323.09745 176.5
[M]- 323.09855 176.5
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