CID 286383

57159-76-9

Structural Information

Molecular Formula
C24H22N2O4S2
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC3=C2C=CC=C3NS(=O)(=O)C4=CC=C(C=C4)C
InChI
InChI=1S/C24H22N2O4S2/c1-17-9-13-19(14-10-17)31(27,28)25-23-7-3-6-22-21(23)5-4-8-24(22)26-32(29,30)20-15-11-18(2)12-16-20/h3-16,25-26H,1-2H3
InChIKey
MIVPUXMNDCDKFL-UHFFFAOYSA-N
Compound name
4-methyl-N-[5-[(4-methylphenyl)sulfonylamino]naphthalen-1-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

17
Patents

466.1021 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.10938 207.9
[M+Na]+ 489.09132 215.1
[M-H]- 465.09482 217.2
[M+NH4]+ 484.13592 216.4
[M+K]+ 505.06526 207.5
[M+H-H2O]+ 449.09936 198.6
[M+HCOO]- 511.10030 219.6
[M+CH3COO]- 525.11595 234.3
[M+Na-2H]- 487.07677 214.8
[M]+ 466.10155 211.3
[M]- 466.10265 211.3
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