CID 3053459

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

Structural Information

Molecular Formula
C19H28N4O2
SMILES
CC1(CC(=O)N(C(=O)N1)CCCN2CCN(CC2)C3=CC=CC=C3)C
InChI
InChI=1S/C19H28N4O2/c1-19(2)15-17(24)23(18(25)20-19)10-6-9-21-11-13-22(14-12-21)16-7-4-3-5-8-16/h3-5,7-8H,6,9-15H2,1-2H3,(H,20,25)
InChIKey
GEYDFXCMIGITSY-UHFFFAOYSA-N
Compound name
6,6-dimethyl-3-[3-(4-phenylpiperazin-1-yl)propyl]-1,3-diazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

344.22122 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.228496 188.8
[M+Na]+ 367.210438 193.0
[M-H]- 343.213944 190.2
[M+NH4]+ 362.255043 197.2
[M+K]+ 383.184378 187.1
[M+H-H2O]+ 327.218480 176.9
[M+HCOO]- 389.219421 197.9
[M+CH3COO]- 403.235071 210.4
[M+Na-2H]- 365.195886 188.1
[M]+ 344.22067142 181.8
[M]- 344.22176858 181.8
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