CID 116015

N,n'-dithio-4,4'-diaminobenzenesulfonamide

Structural Information

Molecular Formula
C12H14N4O4S4
SMILES
C1=CC(=CC=C1N)S(=O)(=O)NSSNS(=O)(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C12H14N4O4S4/c13-9-1-5-11(6-2-9)23(17,18)15-21-22-16-24(19,20)12-7-3-10(14)4-8-12/h1-8,15-16H,13-14H2
InChIKey
QRZXEQRHPNJYEJ-UHFFFAOYSA-N
Compound name
4-amino-N-[[(4-aminophenyl)sulfonylamino]disulfanyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.98978 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.99706 187.9
[M+Na]+ 428.97900 192.4
[M-H]- 404.98250 188.5
[M+NH4]+ 424.02360 195.1
[M+K]+ 444.95294 180.0
[M+H-H2O]+ 388.98704 179.0
[M+HCOO]- 450.98798 189.9
[M+CH3COO]- 465.00363 221.8
[M+Na-2H]- 426.96445 194.9
[M]+ 405.98923 182.7
[M]- 405.99033 182.7
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.