CID 40385

N-(2-benzimidazolylmethyl)anthranilic acid

Structural Information

Molecular Formula
C15H13N3O2
SMILES
C1=CC=C(C(=C1)C(=O)O)NCC2=NC3=CC=CC=C3N2
InChI
InChI=1S/C15H13N3O2/c19-15(20)10-5-1-2-6-11(10)16-9-14-17-12-7-3-4-8-13(12)18-14/h1-8,16H,9H2,(H,17,18)(H,19,20)
InChIKey
NBZVDFHUEZMEEF-UHFFFAOYSA-N
Compound name
2-(1H-benzimidazol-2-ylmethylamino)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.10077 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.10805 157.9
[M+Na]+ 290.08999 166.3
[M-H]- 266.09349 161.1
[M+NH4]+ 285.13459 172.6
[M+K]+ 306.06393 160.4
[M+H-H2O]+ 250.09803 149.6
[M+HCOO]- 312.09897 179.0
[M+CH3COO]- 326.11462 169.2
[M+Na-2H]- 288.07544 164.1
[M]+ 267.10022 157.4
[M]- 267.10132 157.4
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.