CID 454389

143707-85-1

Structural Information

Molecular Formula

C₁₈H₁₈N₂O₃

SMILES

CCC1=C(NC(=O)C(=C1)NCC2=COC3=CC=CC=C3C2=O)C

InChI

InChI=1S/C18H18N2O3/c1-3-12-8-15(18(22)20-11(12)2)19-9-13-10-23-16-7-5-4-6-14(16)17(13)21/h4-8,10,19H,3,9H2,1-2H3,(H,20,22)

InChIKey

GPOGYELAMQPQPR-UHFFFAOYSA-N

Compound name

5-ethyl-6-methyl-3-[(4-oxochromen-3-yl)methylamino]-1H-pyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 310.13174 Da
Monoisotopic Mass: 2.2
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]+	311.139016	172.6
[M+Na]+	333.120958	182.6
[M-H]-	309.124464	179.1
[M+NH4]+	328.165563	185.2
[M+K]+	349.094898	177.7
[M+H-H2O]+	293.129000	163.6
[M+HCOO]-	355.129941	193.4
[M+CH3COO]-	369.145591	208.0
[M+Na-2H]-	331.106406	178.6
[M]+	310.13119142	175.2
[M]-	310.13228858	175.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.