CID 2801167

1,3-dimethyl-6-morpholino-2,4(1h,3h)-pyrimidinedione

Structural Information

Molecular Formula

C₁₀H₁₅N₃O₃

SMILES

CN1C(=CC(=O)N(C1=O)C)N2CCOCC2

InChI

InChI=1S/C10H15N3O3/c1-11-8(13-3-5-16-6-4-13)7-9(14)12(2)10(11)15/h7H,3-6H2,1-2H3

InChIKey

GIHLOYIOGWLQNV-UHFFFAOYSA-N

Compound name

1,3-dimethyl-6-morpholin-4-ylpyrimidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 0
Patents: 225.11134 Da
Monoisotopic Mass: -0.6
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]+	226.118616	149.3
[M+Na]+	248.100558	158.9
[M-H]-	224.104064	153.0
[M+NH4]+	243.145163	162.4
[M+K]+	264.074498	157.2
[M+H-H2O]+	208.108600	140.3
[M+HCOO]-	270.109541	166.7
[M+CH3COO]-	284.125191	188.8
[M+Na-2H]-	246.086006	154.1
[M]+	225.11079142	149.3
[M]-	225.11188858	149.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.