CID 51512

Brn 0930687

Structural Information

Molecular Formula
C11H13N3O4S
SMILES
CC1=NC2=C(N1C)C(=CC(=C2)C(=O)O)S(=O)(=O)NC
InChI
InChI=1S/C11H13N3O4S/c1-6-13-8-4-7(11(15)16)5-9(10(8)14(6)3)19(17,18)12-2/h4-5,12H,1-3H3,(H,15,16)
InChIKey
JDKLMPFWKDHSNO-UHFFFAOYSA-N
Compound name
1,2-dimethyl-7-(methylsulfamoyl)benzimidazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.06268 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.06996 162.7
[M+Na]+ 306.05190 173.0
[M+NH4]+ 301.09650 167.8
[M+K]+ 322.02584 169.8
[M-H]- 282.05540 161.2
[M+Na-2H]- 304.03735 165.2
[M]+ 283.06213 163.9
[M]- 283.06323 163.9
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.