CID 19790

3905-92-8

Structural Information

Molecular Formula
C12H14N4O4S4
SMILES
C1=CC(=C(C=C1S(=O)(=O)N)N)SSC2=C(C=C(C=C2)S(=O)(=O)N)N
InChI
InChI=1S/C12H14N4O4S4/c13-9-5-7(23(15,17)18)1-3-11(9)21-22-12-4-2-8(6-10(12)14)24(16,19)20/h1-6H,13-14H2,(H2,15,17,18)(H2,16,19,20)
InChIKey
CVACEDCBGCMVKB-UHFFFAOYSA-N
Compound name
3-amino-4-[(2-amino-4-sulfamoylphenyl)disulfanyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

405.98978 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.99706 181.3
[M+Na]+ 428.97900 186.3
[M+NH4]+ 424.02360 185.8
[M+K]+ 444.95294 178.3
[M-H]- 404.98250 183.3
[M+Na-2H]- 426.96445 184.5
[M]+ 405.98923 183.8
[M]- 405.99033 183.8
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

No patent data available for this compound.