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-nitropyridin-2-yl)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]+ 290.07718 159.8
[M+Na]+ 312.05912 166.0
[M-H]- 288.06262 164.5
[M+NH4]+ 307.10372 171.8
[M+K]+ 328.03306 159.4
[M+H-H2O]+ 272.06716 155.7
[M+HCOO]- 334.06810 183.5
[M+CH3COO]- 348.08375 194.3
[M+Na-2H]- 310.04457 166.9
[M]+ 289.06935 159.0
[M]- 289.07045 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.