CID 43558257

Chembl4093291

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

242.06914 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.07642 151.7
[M+Na]+ 265.05836 158.2
[M-H]- 241.06186 155.9
[M+NH4]+ 260.10296 166.2
[M+K]+ 281.03230 155.0
[M+H-H2O]+ 225.06640 143.5
[M+HCOO]- 287.06734 173.7
[M+CH3COO]- 301.08299 190.9
[M+Na-2H]- 263.04381 157.3
[M]+ 242.06859 150.3
[M]- 242.06969 150.3
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.