CID 454377

139548-12-2

Structural Information

Molecular Formula

C₁₉H₂₁N₃O₂

SMILES

CCC1=C(NC(=O)C(=C1)NCC2=CC3=CC=CC=C3N=C2OC)C

InChI

InChI=1S/C19H21N3O2/c1-4-13-10-17(18(23)21-12(13)2)20-11-15-9-14-7-5-6-8-16(14)22-19(15)24-3/h5-10,20H,4,11H2,1-3H3,(H,21,23)

InChIKey

BMFQESNBBBGHEM-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 323.1634 Da
Monoisotopic Mass: 3.2
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]+	324.17068	178.5
[M+Na]+	346.15262	187.6
[M-H]-	322.15612	182.6
[M+NH4]+	341.19722	190.5
[M+K]+	362.12656	181.2
[M+H-H2O]+	306.16066	168.6
[M+HCOO]-	368.16160	198.1
[M+CH3COO]-	382.17725	211.9
[M+Na-2H]-	344.13807	183.4
[M]+	323.16285	180.5
[M]-	323.16395	180.5

Literature stripe

literature stripe

Patent stripe

patents stripe