CID 492036

Chembl296379

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₃

SMILES

CC1(CO1)CC2=CC(=O)N(C(=O)N2C)C

InChI

InChI=1S/C10H14N2O3/c1-10(6-15-10)5-7-4-8(13)12(3)9(14)11(7)2/h4H,5-6H2,1-3H3

InChIKey

DDMZETCBSXORHK-UHFFFAOYSA-N

Compound name

1,3-dimethyl-6-[(2-methyloxiran-2-yl)methyl]pyrimidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 210.10045 Da
Monoisotopic Mass: -0.5
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]+	211.10773	150.2
[M+Na]+	233.08967	163.9
[M-H]-	209.09317	157.2
[M+NH4]+	228.13427	163.2
[M+K]+	249.06361	162.0
[M+H-H2O]+	193.09771	143.3
[M+HCOO]-	255.09865	171.7
[M+CH3COO]-	269.11430	190.1
[M+Na-2H]-	231.07512	156.6
[M]+	210.09990	157.9
[M]-	210.10100	157.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.