CID 4427978

4-(pyridine-4-amido)benzoic acid

Structural Information

Molecular Formula
C13H10N2O3
SMILES
C1=CC(=CC=C1C(=O)O)NC(=O)C2=CC=NC=C2
InChI
InChI=1S/C13H10N2O3/c16-12(9-5-7-14-8-6-9)15-11-3-1-10(2-4-11)13(17)18/h1-8H,(H,15,16)(H,17,18)
InChIKey
SFDOUCZRVOYGNG-UHFFFAOYSA-N
Compound name
4-(pyridine-4-carbonylamino)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

34
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

patents stripe