CID 51511

Brn 0926746

Structural Information

Molecular Formula
C10H11N3O4S
SMILES
CNS(=O)(=O)C1=CC(=CC2=C1N(C=N2)C)C(=O)O
InChI
InChI=1S/C10H11N3O4S/c1-11-18(16,17)8-4-6(10(14)15)3-7-9(8)13(2)5-12-7/h3-5,11H,1-2H3,(H,14,15)
InChIKey
MVTZBJTVTUDWNW-UHFFFAOYSA-N
Compound name
1-methyl-7-(methylsulfamoyl)benzimidazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.04703 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.05431 156.4
[M+Na]+ 292.03625 167.6
[M-H]- 268.03975 158.6
[M+NH4]+ 287.08085 173.0
[M+K]+ 308.01019 164.1
[M+H-H2O]+ 252.04429 150.6
[M+HCOO]- 314.04523 173.2
[M+CH3COO]- 328.06088 193.8
[M+Na-2H]- 290.02170 160.9
[M]+ 269.04648 162.1
[M]- 269.04758 162.1
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.