CID 458945

3,4-diamino-n-phenylbenzenesulfonamide

Structural Information

Molecular Formula
C12H13N3O2S
SMILES
C1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)N)N
InChI
InChI=1S/C12H13N3O2S/c13-11-7-6-10(8-12(11)14)18(16,17)15-9-4-2-1-3-5-9/h1-8,15H,13-14H2
InChIKey
ASBSQSZFNXATMB-UHFFFAOYSA-N
Compound name
3,4-diamino-N-phenylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.07285 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.08013 155.3
[M+Na]+ 286.06207 162.9
[M-H]- 262.06557 161.4
[M+NH4]+ 281.10667 170.8
[M+K]+ 302.03601 157.7
[M+H-H2O]+ 246.07011 147.8
[M+HCOO]- 308.07105 175.9
[M+CH3COO]- 322.08670 199.0
[M+Na-2H]- 284.04752 160.4
[M]+ 263.07230 153.3
[M]- 263.07340 153.3
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.