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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	336.064876	174.2
[M+Na]+	358.046818	185.6
[M-H]-	334.050324	181.1
[M+NH4]+	353.091423	188.5
[M+K]+	374.020758	183.0
[M+H-H2O]+	318.054860	168.7
[M+HCOO]-	380.055801	191.4
[M+CH3COO]-	394.071451	205.6
[M+Na-2H]-	356.032266	176.8
[M]+	335.05705142	182.2
[M]-	335.05814858	182.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.