CID 3053461

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

Structural Information

Molecular Formula
C19H27FN4O2
SMILES
CC1(CC(=O)N(C(=O)N1)CCCN2CCN(CC2)C3=CC=C(C=C3)F)C
InChI
InChI=1S/C19H27FN4O2/c1-19(2)14-17(25)24(18(26)21-19)9-3-8-22-10-12-23(13-11-22)16-6-4-15(20)5-7-16/h4-7H,3,8-14H2,1-2H3,(H,21,26)
InChIKey
KPIRFBYNCGNCDP-UHFFFAOYSA-N
Compound name
3-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-6,6-dimethyl-1,3-diazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

362.2118 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.219076 192.3
[M+Na]+ 385.201018 197.5
[M-H]- 361.204524 192.7
[M+NH4]+ 380.245623 200.2
[M+K]+ 401.174958 191.1
[M+H-H2O]+ 345.209060 179.7
[M+HCOO]- 407.210001 200.3
[M+CH3COO]- 421.225651 214.3
[M+Na-2H]- 383.186466 190.3
[M]+ 362.21125142 184.7
[M]- 362.21234858 184.7
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