CID 51513

Brn 0852759

Structural Information

Molecular Formula
C14H13N3O5S
SMILES
CNS(=O)(=O)C1=CC(=CC2=C1N(C(=N2)C3=CC=CO3)C)C(=O)O
InChI
InChI=1S/C14H13N3O5S/c1-15-23(20,21)11-7-8(14(18)19)6-9-12(11)17(2)13(16-9)10-4-3-5-22-10/h3-7,15H,1-2H3,(H,18,19)
InChIKey
WUKIZPQMKUDVDO-UHFFFAOYSA-N
Compound name
2-(furan-2-yl)-1-methyl-7-(methylsulfamoyl)benzimidazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.0576 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.06488 174.2
[M+Na]+ 358.04682 185.6
[M-H]- 334.05032 181.1
[M+NH4]+ 353.09142 188.5
[M+K]+ 374.02076 183.0
[M+H-H2O]+ 318.05486 168.7
[M+HCOO]- 380.05580 191.4
[M+CH3COO]- 394.07145 205.6
[M+Na-2H]- 356.03227 176.8
[M]+ 335.05705 182.2
[M]- 335.05815 182.2
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.