CID 10727347

Chembl244851

Structural Information

Molecular Formula

C₉H₁₄N₂O₄

SMILES

CCC1=CN(C(=O)NC1=O)COCCO

InChI

InChI=1S/C9H14N2O4/c1-2-7-5-11(6-15-4-3-12)9(14)10-8(7)13/h5,12H,2-4,6H2,1H3,(H,10,13,14)

InChIKey

TYILRLCCGPGBHV-UHFFFAOYSA-N

Compound name

5-ethyl-1-(2-hydroxyethoxymethyl)pyrimidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 214.09535 Da
Monoisotopic Mass: -0.7
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]+	215.10263	143.9
[M+Na]+	237.08457	153.5
[M-H]-	213.08807	142.7
[M+NH4]+	232.12917	159.0
[M+K]+	253.05851	150.4
[M+H-H2O]+	197.09261	136.9
[M+HCOO]-	259.09355	163.9
[M+CH3COO]-	273.10920	181.9
[M+Na-2H]-	235.07002	148.9
[M]+	214.09480	146.5
[M]-	214.09590	146.5

Literature stripe

literature stripe

Patent stripe

patents stripe