CID 24693603

3-(1h-1,3-benzodiazole-5-amido)benzoic acid

Structural Information

Molecular Formula
C15H11N3O3
SMILES
C1=CC(=CC(=C1)NC(=O)C2=CC3=C(C=C2)N=CN3)C(=O)O
InChI
InChI=1S/C15H11N3O3/c19-14(9-4-5-12-13(7-9)17-8-16-12)18-11-3-1-2-10(6-11)15(20)21/h1-8H,(H,16,17)(H,18,19)(H,20,21)
InChIKey
MLPQPUCYULZCIY-UHFFFAOYSA-N
Compound name
3-(3H-benzimidazole-5-carbonylamino)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.08005 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.08733 162.0
[M+Na]+ 304.06927 174.4
[M+NH4]+ 299.11387 168.0
[M+K]+ 320.04321 171.1
[M-H]- 280.07277 163.8
[M+Na-2H]- 302.05472 168.7
[M]+ 281.07950 163.9
[M]- 281.08060 163.9
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.