CID 464585

172469-82-8

Structural Information

Molecular Formula
C14H15N3O3
SMILES
CC1=CC(=CC(=C1)NC2=C(C(=O)NC=C2C)[N+](=O)[O-])C
InChI
InChI=1S/C14H15N3O3/c1-8-4-9(2)6-11(5-8)16-12-10(3)7-15-14(18)13(12)17(19)20/h4-7H,1-3H3,(H2,15,16,18)
InChIKey
FUPRFIZUIOELKY-UHFFFAOYSA-N
Compound name
4-(3,5-dimethylanilino)-5-methyl-3-nitro-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

273.11133 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.11861 159.7
[M+Na]+ 296.10055 168.0
[M-H]- 272.10405 164.9
[M+NH4]+ 291.14515 173.3
[M+K]+ 312.07449 159.4
[M+H-H2O]+ 256.10859 156.2
[M+HCOO]- 318.10953 183.6
[M+CH3COO]- 332.12518 195.3
[M+Na-2H]- 294.08600 165.6
[M]+ 273.11078 158.1
[M]- 273.11188 158.1
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.