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

3
Patents

344.22122 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.22850 188.8
[M+Na]+ 367.21044 193.0
[M-H]- 343.21394 190.2
[M+NH4]+ 362.25504 197.2
[M+K]+ 383.18438 187.1
[M+H-H2O]+ 327.21848 176.9
[M+HCOO]- 389.21942 197.9
[M+CH3COO]- 403.23507 210.4
[M+Na-2H]- 365.19589 188.1
[M]+ 344.22067 181.8
[M]- 344.22177 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