CID 87190

Sulfamoyldapsone

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

26
References

787
Patents

327.03476 Da
Monoisotopic Mass

-0.9
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

literature stripe

Patent stripe

patents stripe