CID 44166

N-(2-carboxyphenyl)isonicotinamide 1-oxide

Structural Information

Molecular Formula
C13H10N2O4
SMILES
C1=CC=C(C(=C1)C(=O)O)NC(=O)C2=CC=[N+](C=C2)[O-]
InChI
InChI=1S/C13H10N2O4/c16-12(9-5-7-15(19)8-6-9)14-11-4-2-1-3-10(11)13(17)18/h1-8H,(H,14,16)(H,17,18)
InChIKey
AWBWYKBRAALUKU-UHFFFAOYSA-N
Compound name
2-[(1-oxidopyridin-1-ium-4-carbonyl)amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

258.06406 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.07134 154.1
[M+Na]+ 281.05328 160.3
[M-H]- 257.05678 157.2
[M+NH4]+ 276.09788 166.9
[M+K]+ 297.02722 152.1
[M+H-H2O]+ 241.06132 150.8
[M+HCOO]- 303.06226 175.2
[M+CH3COO]- 317.07791 183.3
[M+Na-2H]- 279.03873 160.7
[M]+ 258.06351 150.6
[M]- 258.06461 150.6
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.