CID 16770258

4-(pyridine-2-amido)benzoic acid

Structural Information

Molecular Formula
C13H10N2O3
SMILES
C1=CC=NC(=C1)C(=O)NC2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C13H10N2O3/c16-12(11-3-1-2-8-14-11)15-10-6-4-9(5-7-10)13(17)18/h1-8H,(H,15,16)(H,17,18)
InChIKey
DJJBTHUGYMDMCO-UHFFFAOYSA-N
Compound name
4-(pyridine-2-carbonylamino)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

242.06914 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.07642 152.9
[M+Na]+ 265.05836 165.3
[M+NH4]+ 260.10296 159.4
[M+K]+ 281.03230 160.0
[M-H]- 241.06186 155.5
[M+Na-2H]- 263.04381 160.9
[M]+ 242.06859 155.1
[M]- 242.06969 155.1
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

patents stripe