CID 446505

5-[4-(2-hydroxyethyl)-1-piperidinyl]-5-phenyl-2,4,6(1h,3h,5h)-pyrimidinetrione

Structural Information

Molecular Formula
C17H21N3O4
SMILES
C1CN(CCC1CCO)C2(C(=O)NC(=O)NC2=O)C3=CC=CC=C3
InChI
InChI=1S/C17H21N3O4/c21-11-8-12-6-9-20(10-7-12)17(13-4-2-1-3-5-13)14(22)18-16(24)19-15(17)23/h1-5,12,21H,6-11H2,(H2,18,19,22,23,24)
InChIKey
IPBPOBHSNJFRFT-UHFFFAOYSA-N
Compound name
5-[4-(2-hydroxyethyl)piperidin-1-yl]-5-phenyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

22
Patents

331.1532 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.16048 181.0
[M+Na]+ 354.14242 185.3
[M-H]- 330.14592 181.6
[M+NH4]+ 349.18702 189.7
[M+K]+ 370.11636 179.2
[M+H-H2O]+ 314.15046 171.0
[M+HCOO]- 376.15140 189.7
[M+CH3COO]- 390.16705 201.0
[M+Na-2H]- 352.12787 181.0
[M]+ 331.15265 171.6
[M]- 331.15375 171.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe