CID 215937

2-(p-aminobenzamido)nicotinic acid

Structural Information

Molecular Formula
C13H11N3O3
SMILES
C1=CC(=C(N=C1)NC(=O)C2=CC=C(C=C2)N)C(=O)O
InChI
InChI=1S/C13H11N3O3/c14-9-5-3-8(4-6-9)12(17)16-11-10(13(18)19)2-1-7-15-11/h1-7H,14H2,(H,18,19)(H,15,16,17)
InChIKey
CTZOFCKLLMFZQM-UHFFFAOYSA-N
Compound name
2-[(4-aminobenzoyl)amino]pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.08005 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.08733 156.9
[M+Na]+ 280.06927 168.0
[M+NH4]+ 275.11387 162.7
[M+K]+ 296.04321 163.6
[M-H]- 256.07277 159.6
[M+Na-2H]- 278.05472 163.9
[M]+ 257.07950 158.8
[M]- 257.08060 158.8
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.