CID 103069

65036-64-8

Structural Information

Molecular Formula
C13H12N4O4S
SMILES
C1=CC(=C(C=C1N)S(=O)(=O)O)NC2=CC3=C(C=C2)NC(=O)N3
InChI
InChI=1S/C13H12N4O4S/c14-7-1-3-10(12(5-7)22(19,20)21)15-8-2-4-9-11(6-8)17-13(18)16-9/h1-6,15H,14H2,(H2,16,17,18)(H,19,20,21)
InChIKey
NYUSBYCOSGQRRQ-UHFFFAOYSA-N
Compound name
5-amino-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.05792 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.06520 167.8
[M+Na]+ 343.04714 178.3
[M-H]- 319.05064 170.3
[M+NH4]+ 338.09174 180.1
[M+K]+ 359.02108 171.2
[M+H-H2O]+ 303.05518 161.3
[M+HCOO]- 365.05612 183.4
[M+CH3COO]- 379.07177 200.2
[M+Na-2H]- 341.03259 173.0
[M]+ 320.05737 167.9
[M]- 320.05847 167.9
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.