CID 424451

3982-42-1

Structural Information

Molecular Formula
C26H24N2O4S4
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2SSC3=CC=CC=C3NS(=O)(=O)C4=CC=C(C=C4)C
InChI
InChI=1S/C26H24N2O4S4/c1-19-11-15-21(16-12-19)35(29,30)27-23-7-3-5-9-25(23)33-34-26-10-6-4-8-24(26)28-36(31,32)22-17-13-20(2)14-18-22/h3-18,27-28H,1-2H3
InChIKey
APANBHWEBXUZGY-UHFFFAOYSA-N
Compound name
4-methyl-N-[2-[[2-[(4-methylphenyl)sulfonylamino]phenyl]disulfanyl]phenyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

556.0619 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 557.06918 228.7
[M+Na]+ 579.05112 234.2
[M-H]- 555.05462 236.0
[M+NH4]+ 574.09572 231.8
[M+K]+ 595.02506 221.5
[M+H-H2O]+ 539.05916 218.8
[M+HCOO]- 601.06010 230.4
[M+CH3COO]- 615.07575 245.2
[M+Na-2H]- 577.03657 235.0
[M]+ 556.06135 227.7
[M]- 556.06245 227.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.