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

3
Patents

317.13754 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.144816 176.3
[M+Na]+ 340.126758 180.7
[M-H]- 316.130264 178.7
[M+NH4]+ 335.171363 184.7
[M+K]+ 356.100698 176.5
[M+H-H2O]+ 300.134800 165.7
[M+HCOO]- 362.135741 186.0
[M+CH3COO]- 376.151391 199.2
[M+Na-2H]- 338.112206 178.3
[M]+ 317.13699142 168.5
[M]- 317.13808858 168.5
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