CID 3055091

Brn 0923953

Structural Information

Molecular Formula
C9H9N3O4S
SMILES
CN1C=NC2=C1C(=CC(=C2)C(=O)O)S(=O)(=O)N
InChI
InChI=1S/C9H9N3O4S/c1-12-4-11-6-2-5(9(13)14)3-7(8(6)12)17(10,15)16/h2-4H,1H3,(H,13,14)(H2,10,15,16)
InChIKey
VGNGFKYHJFCGRQ-UHFFFAOYSA-N
Compound name
1-methyl-7-sulfamoylbenzimidazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.03137 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.03865 153.3
[M+Na]+ 278.02059 163.4
[M+NH4]+ 273.06519 158.6
[M+K]+ 293.99453 160.8
[M-H]- 254.02409 151.7
[M+Na-2H]- 276.00604 156.1
[M]+ 255.03082 154.4
[M]- 255.03192 154.4
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.