CID 3039452

4,6(1h,5h)-pyrimidinedione, 2-morpholino-

Structural Information

Molecular Formula

C₈H₁₁N₃O₃

SMILES

C1COCCN1C2=NC(=O)CC(=O)N2

InChI

InChI=1S/C8H11N3O3/c12-6-5-7(13)10-8(9-6)11-1-3-14-4-2-11/h1-5H2,(H,9,10,12,13)

InChIKey

QKALNAZQIMFQEC-UHFFFAOYSA-N

Compound name

2-morpholin-4-yl-1H-pyrimidine-4,6-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 197.08005 Da
Monoisotopic Mass: -1.3
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	143.8
[M+Na]+	220.06927	149.9
[M-H]-	196.07277	144.9
[M+NH4]+	215.11387	156.5
[M+K]+	236.04321	148.4
[M+H-H2O]+	180.07731	134.9
[M+HCOO]-	242.07825	157.5
[M+CH3COO]-	256.09390	177.9
[M+Na-2H]-	218.05472	148.5
[M]+	197.07950	137.5
[M]-	197.08060	137.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe