CID 492050

Chembl342624

Structural Information

Molecular Formula

C₁₇H₂₀N₂O₃

SMILES

CN1C(=O)C=C(N=C1OC)CC2(CCCO2)C3=CC=CC=C3

InChI

InChI=1S/C17H20N2O3/c1-19-15(20)11-14(18-16(19)21-2)12-17(9-6-10-22-17)13-7-4-3-5-8-13/h3-5,7-8,11H,6,9-10,12H2,1-2H3

InChIKey

UDYAOUFBALLFSP-UHFFFAOYSA-N

Compound name

2-methoxy-3-methyl-6-[(2-phenyloxolan-2-yl)methyl]pyrimidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 300.1474 Da
Monoisotopic Mass: 1.8
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]+	301.154676	168.3
[M+Na]+	323.136618	176.7
[M-H]-	299.140124	176.4
[M+NH4]+	318.181223	182.9
[M+K]+	339.110558	174.1
[M+H-H2O]+	283.144660	159.0
[M+HCOO]-	345.145601	188.2
[M+CH3COO]-	359.161251	180.1
[M+Na-2H]-	321.122066	172.0
[M]+	300.14685142	170.4
[M]-	300.14794858	170.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.