CID 454441

Chembl125510

Structural Information

Molecular Formula

C₁₈H₁₉N₃O

SMILES

CCC1=C(NC(=O)C(=C1)NCC2=CC3=CC=CC=C3N=C2)C

InChI

InChI=1S/C18H19N3O/c1-3-14-9-17(18(22)21-12(14)2)20-11-13-8-15-6-4-5-7-16(15)19-10-13/h4-10,20H,3,11H2,1-2H3,(H,21,22)

InChIKey

RJDHCISUIBFLAH-UHFFFAOYSA-N

Compound name

5-ethyl-6-methyl-3-(quinolin-3-ylmethylamino)-1H-pyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 293.1528 Da
Monoisotopic Mass: 2.9
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]+	294.160076	170.2
[M+Na]+	316.142018	179.1
[M-H]-	292.145524	174.1
[M+NH4]+	311.186623	183.2
[M+K]+	332.115958	172.1
[M+H-H2O]+	276.150060	160.6
[M+HCOO]-	338.151001	190.1
[M+CH3COO]-	352.166651	180.8
[M+Na-2H]-	314.127466	176.4
[M]+	293.15225142	170.1
[M]-	293.15334858	170.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.