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 170.8
[M+Na]+ 356.03115 181.6
[M+NH4]+ 351.07575 175.1
[M+K]+ 372.00509 178.3
[M-H]- 332.03465 170.5
[M+Na-2H]- 354.01660 175.7
[M]+ 333.04138 172.3
[M]- 333.04248 172.3
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.