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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	274.118606	159.7
[M+Na]+	296.100548	168.0
[M-H]-	272.104054	164.9
[M+NH4]+	291.145153	173.3
[M+K]+	312.074488	159.4
[M+H-H2O]+	256.108590	156.2
[M+HCOO]-	318.109531	183.6
[M+CH3COO]-	332.125181	195.3
[M+Na-2H]-	294.085996	165.6
[M]+	273.11078142	158.1
[M]-	273.11187858	158.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.