CID 978036

701275-61-8

Structural Information

Molecular Formula
C14H11N3O5S
SMILES
C1=CC=C(C(=C1)C(=O)O)NS(=O)(=O)C2=CC3=C(C=C2)NC(=O)N3
InChI
InChI=1S/C14H11N3O5S/c18-13(19)9-3-1-2-4-10(9)17-23(21,22)8-5-6-11-12(7-8)16-14(20)15-11/h1-7,17H,(H,18,19)(H2,15,16,20)
InChIKey
PYZGHELWFCMXSN-UHFFFAOYSA-N
Compound name
2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

333.04193 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.04921 171.2
[M+Na]+ 356.03115 180.9
[M-H]- 332.03465 173.8
[M+NH4]+ 351.07575 183.0
[M+K]+ 372.00509 174.6
[M+H-H2O]+ 316.03919 164.6
[M+HCOO]- 378.04013 185.5
[M+CH3COO]- 392.05578 199.3
[M+Na-2H]- 354.01660 175.9
[M]+ 333.04138 172.9
[M]- 333.04248 172.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.