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]+ 243.076416 151.7
[M+Na]+ 265.058358 158.2
[M-H]- 241.061864 155.9
[M+NH4]+ 260.102963 166.2
[M+K]+ 281.032298 155.0
[M+H-H2O]+ 225.066400 143.5
[M+HCOO]- 287.067341 173.7
[M+CH3COO]- 301.082991 190.9
[M+Na-2H]- 263.043806 157.3
[M]+ 242.06859142 150.3
[M]- 242.06968858 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

literature stripe

Patent stripe

No patent data available for this compound.