CID 3011442

2-hydroxy-5-methoxy-n-(4-nitro-2-pyridyl)benzamide

Structural Information

Molecular Formula
C13H11N3O5
SMILES
COC1=CC(=C(C=C1)O)C(=O)NC2=NC=CC(=C2)[N+](=O)[O-]
InChI
InChI=1S/C13H11N3O5/c1-21-9-2-3-11(17)10(7-9)13(18)15-12-6-8(16(19)20)4-5-14-12/h2-7,17H,1H3,(H,14,15,18)
InChIKey
KWKMNKHTCWIMDZ-UHFFFAOYSA-N
Compound name
2-hydroxy-5-methoxy-N-(4-nitro-2-pyridinyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

289.0699 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.077176 159.8
[M+Na]+ 312.059118 166.0
[M-H]- 288.062624 164.5
[M+NH4]+ 307.103723 171.8
[M+K]+ 328.033058 159.4
[M+H-H2O]+ 272.067160 155.7
[M+HCOO]- 334.068101 183.5
[M+CH3COO]- 348.083751 194.3
[M+Na-2H]- 310.044566 166.9
[M]+ 289.06935142 159.0
[M]- 289.07044858 159.0
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.