CID 3044484

4,6(1h,5h)-pyrimidinedione, 2-(4-methyl-1-piperazinyl)-5-phenyl-

Structural Information

Molecular Formula
C15H18N4O2
SMILES
CN1CCN(CC1)C2=NC(=O)C(C(=O)N2)C3=CC=CC=C3
InChI
InChI=1S/C15H18N4O2/c1-18-7-9-19(10-8-18)15-16-13(20)12(14(21)17-15)11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3,(H,16,17,20,21)
InChIKey
LRNRSRNHPHGTDM-UHFFFAOYSA-N
Compound name
2-(4-methylpiperazin-1-yl)-5-phenyl-1H-pyrimidine-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.14297 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.15025 170.0
[M+Na]+ 309.13219 183.2
[M+NH4]+ 304.17679 175.9
[M+K]+ 325.10613 176.7
[M-H]- 285.13569 172.7
[M+Na-2H]- 307.11764 176.4
[M]+ 286.14242 172.4
[M]- 286.14352 172.4
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

No patent data available for this compound.