CID 51511

1h-benzimidazole-5-carboxylic acid, 1-methyl-7-((methylamino)sulfonyl)-

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]+ 270.054306 156.4
[M+Na]+ 292.036248 167.6
[M-H]- 268.039754 158.6
[M+NH4]+ 287.080853 173.0
[M+K]+ 308.010188 164.1
[M+H-H2O]+ 252.044290 150.6
[M+HCOO]- 314.045231 173.2
[M+CH3COO]- 328.060881 193.8
[M+Na-2H]- 290.021696 160.9
[M]+ 269.04648142 162.1
[M]- 269.04757858 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.