CID 121384

2,4,6(1h,3h,5h)-pyrimidinetrione, 5-(2-(4-morpholinyl)ethyl)-5-phenyl-, monohydrochloride

Structural Information

Molecular Formula
C16H19N3O4
SMILES
C1COCCN1CCC2(C(=O)NC(=O)NC2=O)C3=CC=CC=C3
InChI
InChI=1S/C16H19N3O4/c20-13-16(12-4-2-1-3-5-12,14(21)18-15(22)17-13)6-7-19-8-10-23-11-9-19/h1-5H,6-11H2,(H2,17,18,20,21,22)
InChIKey
WZHSAFJGWYXZCR-UHFFFAOYSA-N
Compound name
5-(2-morpholin-4-ylethyl)-5-phenyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.13754 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.14482 176.1
[M+Na]+ 340.12676 187.0
[M+NH4]+ 335.17136 182.1
[M+K]+ 356.10070 180.0
[M-H]- 316.13026 178.9
[M+Na-2H]- 338.11221 181.5
[M]+ 317.13699 178.1
[M]- 317.13809 178.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe