CID 94692

85445-03-0

Structural Information

Molecular Formula

C₁₁H₁₈N₂O₃

SMILES

CCC1(C(=O)NC(=NC1=O)OC(C)C)CC

InChI

InChI=1S/C11H18N2O3/c1-5-11(6-2)8(14)12-10(13-9(11)15)16-7(3)4/h7H,5-6H2,1-4H3,(H,12,13,14,15)

InChIKey

GWBJKDRJBWUMFT-UHFFFAOYSA-N

Compound name

5,5-diethyl-2-propan-2-yloxy-1H-pyrimidine-4,6-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
Patents: 226.13174 Da
Monoisotopic Mass: 1.4
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]+	227.13902	150.1
[M+Na]+	249.12096	158.2
[M-H]-	225.12446	149.8
[M+NH4]+	244.16556	167.5
[M+K]+	265.09490	156.4
[M+H-H2O]+	209.12900	144.1
[M+HCOO]-	271.12994	167.1
[M+CH3COO]-	285.14559	188.5
[M+Na-2H]-	247.10641	153.0
[M]+	226.13119	150.8
[M]-	226.13229	150.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.