CID 454346

145901-78-6

Structural Information

Molecular Formula

C₁₅H₁₉N₃O₂

SMILES

CCC1=C(NC(=O)C(=C1)NCC2=C(N=CC=C2)OC)C

InChI

InChI=1S/C15H19N3O2/c1-4-11-8-13(14(19)18-10(11)2)17-9-12-6-5-7-16-15(12)20-3/h5-8,17H,4,9H2,1-3H3,(H,18,19)

InChIKey

QHNARWCYVZEIPA-UHFFFAOYSA-N

Compound name

5-ethyl-3-[(2-methoxy-3-pyridinyl)methylamino]-6-methyl-1H-pyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 273.14774 Da
Monoisotopic Mass: 1.9
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]+	274.155016	164.2
[M+Na]+	296.136958	173.0
[M-H]-	272.140464	167.5
[M+NH4]+	291.181563	177.3
[M+K]+	312.110898	167.9
[M+H-H2O]+	256.145000	155.2
[M+HCOO]-	318.145941	185.6
[M+CH3COO]-	332.161591	200.9
[M+Na-2H]-	294.122406	168.8
[M]+	273.14719142	165.8
[M]-	273.14828858	165.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.