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]+ 268.108046 157.9
[M+Na]+ 290.089988 166.3
[M-H]- 266.093494 161.1
[M+NH4]+ 285.134593 172.6
[M+K]+ 306.063928 160.4
[M+H-H2O]+ 250.098030 149.6
[M+HCOO]- 312.098971 179.0
[M+CH3COO]- 326.114621 169.2
[M+Na-2H]- 288.075436 164.1
[M]+ 267.10022142 157.4
[M]- 267.10131858 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.