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 184.8
[M+Na]+ 353.19479 189.4
[M-H]- 329.19829 186.3
[M+NH4]+ 348.23939 193.7
[M+K]+ 369.16873 183.7
[M+H-H2O]+ 313.20283 173.0
[M+HCOO]- 375.20377 194.1
[M+CH3COO]- 389.21942 207.5
[M+Na-2H]- 351.18024 184.6
[M]+ 330.20502 177.4
[M]- 330.20612 177.4
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

patents stripe