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]+ 282.087326 160.6
[M+Na]+ 304.069268 168.7
[M-H]- 280.072774 163.9
[M+NH4]+ 299.113873 174.5
[M+K]+ 320.043208 163.6
[M+H-H2O]+ 264.077310 152.3
[M+HCOO]- 326.078251 181.0
[M+CH3COO]- 340.093901 171.6
[M+Na-2H]- 302.054716 165.7
[M]+ 281.07950142 160.1
[M]- 281.08059858 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.