CID 242460

6945-43-3

Structural Information

Molecular Formula
C12H13N3O4S2
SMILES
C1=CC(=CC=C1N)S(=O)(=O)C2=CC(=C(C=C2)N)S(=O)(=O)N
InChI
InChI=1S/C12H13N3O4S2/c13-8-1-3-9(4-2-8)20(16,17)10-5-6-11(14)12(7-10)21(15,18)19/h1-7H,13-14H2,(H2,15,18,19)
InChIKey
DROBNVBCNBRTCF-UHFFFAOYSA-N
Compound name
2-amino-5-(4-aminophenyl)sulfonylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

30
Patents

327.03476 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.04204 170.4
[M+Na]+ 350.02398 178.2
[M-H]- 326.02748 175.2
[M+NH4]+ 345.06858 182.7
[M+K]+ 365.99792 171.4
[M+H-H2O]+ 310.03202 162.8
[M+HCOO]- 372.03296 183.4
[M+CH3COO]- 386.04861 207.8
[M+Na-2H]- 348.00943 174.0
[M]+ 327.03421 169.0
[M]- 327.03531 169.0
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.