CID 54719908

4-hydroxy-6-methyl-3-(4-nitrophenyl)-1h-pyridin-2-one

Structural Information

Molecular Formula
C12H10N2O4
SMILES
CC1=CC(=C(C(=O)N1)C2=CC=C(C=C2)[N+](=O)[O-])O
InChI
InChI=1S/C12H10N2O4/c1-7-6-10(15)11(12(16)13-7)8-2-4-9(5-3-8)14(17)18/h2-6H,1H3,(H2,13,15,16)
InChIKey
VNISXJOYPJSIJS-UHFFFAOYSA-N
Compound name
4-hydroxy-6-methyl-3-(4-nitrophenyl)-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.06406 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.07134 149.9
[M+Na]+ 269.05328 158.6
[M-H]- 245.05678 153.8
[M+NH4]+ 264.09788 163.9
[M+K]+ 285.02722 150.1
[M+H-H2O]+ 229.06132 147.1
[M+HCOO]- 291.06226 172.2
[M+CH3COO]- 305.07791 182.7
[M+Na-2H]- 267.03873 156.7
[M]+ 246.06351 147.5
[M]- 246.06461 147.5
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.