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 160.6
[M+Na]+ 304.06927 168.7
[M-H]- 280.07277 163.9
[M+NH4]+ 299.11387 174.5
[M+K]+ 320.04321 163.6
[M+H-H2O]+ 264.07731 152.3
[M+HCOO]- 326.07825 181.0
[M+CH3COO]- 340.09390 171.6
[M+Na-2H]- 302.05472 165.7
[M]+ 281.07950 160.1
[M]- 281.08060 160.1
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.