CID 54684869

6-[3-(allyloxy)benzyl]-4-hydroxy-3,5-diethylpyridin-2(1h)-one

Structural Information

Molecular Formula

C₁₉H₂₃NO₃

SMILES

CCC1=C(NC(=O)C(=C1O)CC)CC2=CC(=CC=C2)OCC=C

InChI

InChI=1S/C19H23NO3/c1-4-10-23-14-9-7-8-13(11-14)12-17-15(5-2)18(21)16(6-3)19(22)20-17/h4,7-9,11H,1,5-6,10,12H2,2-3H3,(H2,20,21,22)

InChIKey

YAZMNUYGFKIAOO-UHFFFAOYSA-N

Compound name

3,5-diethyl-4-hydroxy-6-[(3-prop-2-enoxyphenyl)methyl]-1H-pyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 313.1678 Da
Monoisotopic Mass: 3.3
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]+	314.175076	174.9
[M+Na]+	336.157018	183.4
[M-H]-	312.160524	178.0
[M+NH4]+	331.201623	187.5
[M+K]+	352.130958	177.1
[M+H-H2O]+	296.165060	166.7
[M+HCOO]-	358.166001	194.2
[M+CH3COO]-	372.181651	205.3
[M+Na-2H]-	334.142466	175.8
[M]+	313.16725142	177.4
[M]-	313.16834858	177.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.