CID 201533

6188-02-9

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

3
References

19
Patents

242.06914 Da
Monoisotopic Mass

1.8
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

literature stripe

Patent stripe

patents stripe