CID 5274882

2-pyridinecarboxamide, 3-hydroxy-n-(3-nitrophenyl)-

Structural Information

Molecular Formula
C12H9N3O4
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)C2=C(C=CC=N2)O
InChI
InChI=1S/C12H9N3O4/c16-10-5-2-6-13-11(10)12(17)14-8-3-1-4-9(7-8)15(18)19/h1-7,16H,(H,14,17)
InChIKey
PCGAUFXKENIDMM-UHFFFAOYSA-N
Compound name
3-hydroxy-N-(3-nitrophenyl)pyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

259.0593 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.06658 152.2
[M+Na]+ 282.04852 158.2
[M-H]- 258.05202 156.7
[M+NH4]+ 277.09312 165.3
[M+K]+ 298.02246 151.1
[M+H-H2O]+ 242.05656 148.4
[M+HCOO]- 304.05750 176.1
[M+CH3COO]- 318.07315 187.9
[M+Na-2H]- 280.03397 160.3
[M]+ 259.05875 149.3
[M]- 259.05985 149.3
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.