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]+ 247.071336 149.9
[M+Na]+ 269.053278 158.6
[M-H]- 245.056784 153.8
[M+NH4]+ 264.097883 163.9
[M+K]+ 285.027218 150.1
[M+H-H2O]+ 229.061320 147.1
[M+HCOO]- 291.062261 172.2
[M+CH3COO]- 305.077911 182.7
[M+Na-2H]- 267.038726 156.7
[M]+ 246.06351142 147.5
[M]- 246.06460858 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.