CID 454344

139548-36-0

Structural Information

Molecular Formula

C₁₇H₂₃N₃O₂

SMILES

CCC1=C(NC(=O)C(=C1)NCC2=C(C=C(C(=N2)C)C)OC)C

InChI

InChI=1S/C17H23N3O2/c1-6-13-8-14(17(21)20-12(13)4)18-9-15-16(22-5)7-10(2)11(3)19-15/h7-8,18H,6,9H2,1-5H3,(H,20,21)

InChIKey

PAGSCJGKFDEZJT-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 301.17902 Da
Monoisotopic Mass: 2.3
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]+	302.186296	173.7
[M+Na]+	324.168238	183.4
[M-H]-	300.171744	177.4
[M+NH4]+	319.212843	186.2
[M+K]+	340.142178	178.1
[M+H-H2O]+	284.176280	164.8
[M+HCOO]-	346.177221	194.4
[M+CH3COO]-	360.192871	209.4
[M+Na-2H]-	322.153686	175.7
[M]+	301.17847142	176.8
[M]-	301.17956858	176.8

Literature stripe

literature stripe

Patent stripe

patents stripe