CID 3055103

Brn 0847286

Structural Information

Molecular Formula
C13H11N3O5S
SMILES
CN1C2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)N=C1C3=CC=CO3
InChI
InChI=1S/C13H11N3O5S/c1-16-11-8(15-12(16)9-3-2-4-21-9)5-7(13(17)18)6-10(11)22(14,19)20/h2-6H,1H3,(H,17,18)(H2,14,19,20)
InChIKey
ZMBAAUSAAATAPI-UHFFFAOYSA-N
Compound name
2-(furan-2-yl)-1-methyl-7-sulfamoylbenzimidazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.04193 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.049206 170.1
[M+Na]+ 344.031148 181.9
[M-H]- 320.034654 176.7
[M+NH4]+ 339.075753 184.8
[M+K]+ 360.005088 179.3
[M+H-H2O]+ 304.039190 164.8
[M+HCOO]- 366.040131 187.1
[M+CH3COO]- 380.055781 202.2
[M+Na-2H]- 342.016596 172.2
[M]+ 321.04138142 176.8
[M]- 321.04247858 176.8
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.