CID 15954379

Chembl349424

Structural Information

Molecular Formula

C₉H₁₅N₃O₃

SMILES

CN(C)C1=NC(=O)N(C=C1)COCCO

InChI

InChI=1S/C9H15N3O3/c1-11(2)8-3-4-12(9(14)10-8)7-15-6-5-13/h3-4,13H,5-7H2,1-2H3

InChIKey

VGINJRCPWXPTOJ-UHFFFAOYSA-N

Compound name

4-(dimethylamino)-1-(2-hydroxyethoxymethyl)pyrimidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 213.11134 Da
Monoisotopic Mass: -1.3
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]+	214.11862	145.1
[M+Na]+	236.10056	153.4
[M-H]-	212.10406	146.4
[M+NH4]+	231.14516	161.1
[M+K]+	252.07450	152.5
[M+H-H2O]+	196.10860	137.2
[M+HCOO]-	258.10954	167.9
[M+CH3COO]-	272.12519	190.1
[M+Na-2H]-	234.08601	151.1
[M]+	213.11079	149.0
[M]-	213.11189	149.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.