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]+ 363.21908 192.3
[M+Na]+ 385.20102 197.5
[M-H]- 361.20452 192.7
[M+NH4]+ 380.24562 200.2
[M+K]+ 401.17496 191.1
[M+H-H2O]+ 345.20906 179.7
[M+HCOO]- 407.21000 200.3
[M+CH3COO]- 421.22565 214.3
[M+Na-2H]- 383.18647 190.3
[M]+ 362.21125 184.7
[M]- 362.21235 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