CID 16227639

N-(3-nitro-6-oxo-1,6-dihydropyridin-2-yl)acetamide

Structural Information

Molecular Formula
C7H7N3O4
SMILES
CC(=O)NC1=C(C=CC(=O)N1)[N+](=O)[O-]
InChI
InChI=1S/C7H7N3O4/c1-4(11)8-7-5(10(13)14)2-3-6(12)9-7/h2-3H,1H3,(H2,8,9,11,12)
InChIKey
PKRPEMDJIZOMSG-UHFFFAOYSA-N
Compound name
N-(3-nitro-6-oxo-1H-pyridin-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.04366 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.05094 134.9
[M+Na]+ 220.03288 142.6
[M-H]- 196.03638 136.7
[M+NH4]+ 215.07748 151.2
[M+K]+ 236.00682 136.6
[M+H-H2O]+ 180.04092 133.0
[M+HCOO]- 242.04186 159.4
[M+CH3COO]- 256.05751 175.8
[M+Na-2H]- 218.01833 142.9
[M]+ 197.04311 132.2
[M]- 197.04421 132.2
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.