CID 5274892

1032-85-5

Structural Information

Molecular Formula
C13H11N3O4
SMILES
C1=CC(=C(N=C1)C(=O)NCC2=CC=C(C=C2)[N+](=O)[O-])O
InChI
InChI=1S/C13H11N3O4/c17-11-2-1-7-14-12(11)13(18)15-8-9-3-5-10(6-4-9)16(19)20/h1-7,17H,8H2,(H,15,18)
InChIKey
SQNCKXYKQQPHPO-UHFFFAOYSA-N
Compound name
3-hydroxy-N-[(4-nitrophenyl)methyl]pyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

273.07495 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.08223 156.9
[M+Na]+ 296.06417 162.5
[M-H]- 272.06767 161.3
[M+NH4]+ 291.10877 169.4
[M+K]+ 312.03811 155.1
[M+H-H2O]+ 256.07221 152.9
[M+HCOO]- 318.07315 180.5
[M+CH3COO]- 332.08880 190.9
[M+Na-2H]- 294.04962 164.5
[M]+ 273.07440 154.4
[M]- 273.07550 154.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.