CID 3053463

2,4(1h,3h)-pyrimidinedione, dihydro-6,6-dimethyl-3-(2-(4-phenyl-1-piperazinyl)ethyl)-, monohydrochloride

Structural Information

Molecular Formula
C18H26N4O2
SMILES
CC1(CC(=O)N(C(=O)N1)CCN2CCN(CC2)C3=CC=CC=C3)C
InChI
InChI=1S/C18H26N4O2/c1-18(2)14-16(23)22(17(24)19-18)13-10-20-8-11-21(12-9-20)15-6-4-3-5-7-15/h3-7H,8-14H2,1-2H3,(H,19,24)
InChIKey
RTHRHDSBECPSPT-UHFFFAOYSA-N
Compound name
6,6-dimethyl-3-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3-diazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

330.20557 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.21285 183.8
[M+Na]+ 353.19479 195.5
[M+NH4]+ 348.23939 190.5
[M+K]+ 369.16873 186.9
[M-H]- 329.19829 186.2
[M+Na-2H]- 351.18024 190.1
[M]+ 330.20502 186.0
[M]- 330.20612 186.0
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