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]+ 198.050936 134.9
[M+Na]+ 220.032878 142.6
[M-H]- 196.036384 136.7
[M+NH4]+ 215.077483 151.2
[M+K]+ 236.006818 136.6
[M+H-H2O]+ 180.040920 133.0
[M+HCOO]- 242.041861 159.4
[M+CH3COO]- 256.057511 175.8
[M+Na-2H]- 218.018326 142.9
[M]+ 197.04311142 132.2
[M]- 197.04420858 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.