CID 687702

5-morpholinopyrimidine-2,4(1h,3h)-dione

Structural Information

Molecular Formula

C₈H₁₁N₃O₃

SMILES

C1COCCN1C2=CNC(=O)NC2=O

InChI

InChI=1S/C8H11N3O3/c12-7-6(5-9-8(13)10-7)11-1-3-14-4-2-11/h5H,1-4H2,(H2,9,10,12,13)

InChIKey

SIVJYKAWVLZRSX-UHFFFAOYSA-N

Compound name

5-morpholin-4-yl-1H-pyrimidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 69
Patents: 197.08005 Da
Monoisotopic Mass: -1.0
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]+	198.08733	141.4
[M+Na]+	220.06927	153.7
[M+NH4]+	215.11387	147.1
[M+K]+	236.04321	149.4
[M-H]-	196.07277	142.9
[M+Na-2H]-	218.05472	146.6
[M]+	197.07950	143.2
[M]-	197.08060	143.2

Literature stripe

literature stripe

Patent stripe

patents stripe