CID 492062

1,3-dimethyl-6-(3-phenyloxiran-2-yl)pyrimidine-2,4-dione

Structural Information

Molecular Formula

C₁₄H₁₄N₂O₃

SMILES

CN1C(=CC(=O)N(C1=O)C)C2C(O2)C3=CC=CC=C3

InChI

InChI=1S/C14H14N2O3/c1-15-10(8-11(17)16(2)14(15)18)13-12(19-13)9-6-4-3-5-7-9/h3-8,12-13H,1-2H3

InChIKey

OYFVRZBTRHMTPE-UHFFFAOYSA-N

Compound name

1,3-dimethyl-6-(3-phenyloxiran-2-yl)pyrimidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 258.10043 Da
Monoisotopic Mass: 0.4
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]+	259.107706	162.8
[M+Na]+	281.089648	176.3
[M-H]-	257.093154	172.5
[M+NH4]+	276.134253	171.7
[M+K]+	297.063588	172.1
[M+H-H2O]+	241.097690	153.7
[M+HCOO]-	303.098631	184.8
[M+CH3COO]-	317.114281	199.3
[M+Na-2H]-	279.075096	167.4
[M]+	258.09988142	169.1
[M]-	258.10097858	169.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.