CID 492054

Chembl141406

Structural Information

Molecular Formula

C₁₄H₂₂N₂O₃

SMILES

CCCOC1=NC(=CC(=O)N1C)CC2(CCCO2)C

InChI

InChI=1S/C14H22N2O3/c1-4-7-18-13-15-11(9-12(17)16(13)3)10-14(2)6-5-8-19-14/h9H,4-8,10H2,1-3H3

InChIKey

ONUZJNWKUNUVJG-UHFFFAOYSA-N

Compound name

3-methyl-6-[(2-methyloxolan-2-yl)methyl]-2-propoxypyrimidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 266.16306 Da
Monoisotopic Mass: 1.6
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]+	267.170336	159.6
[M+Na]+	289.152278	168.0
[M-H]-	265.155784	164.4
[M+NH4]+	284.196883	176.3
[M+K]+	305.126218	166.7
[M+H-H2O]+	249.160320	152.0
[M+HCOO]-	311.161261	179.2
[M+CH3COO]-	325.176911	196.3
[M+Na-2H]-	287.137726	163.0
[M]+	266.16251142	163.4
[M]-	266.16360858	163.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.