CID 3042329

1-(4-fluorobenzoyl)-2-(2-(4-(4-fluorophenyl)piperazinyl)ethyl)piperidine dihydrochloride

Structural Information

Molecular Formula
C24H29F2N3O
SMILES
C1CCN(C(C1)CCN2CCN(CC2)C3=CC=C(C=C3)F)C(=O)C4=CC=C(C=C4)F
InChI
InChI=1S/C24H29F2N3O/c25-20-6-4-19(5-7-20)24(30)29-13-2-1-3-23(29)12-14-27-15-17-28(18-16-27)22-10-8-21(26)9-11-22/h4-11,23H,1-3,12-18H2
InChIKey
MULSQRSWJGMRFO-UHFFFAOYSA-N
Compound name
(4-fluorophenyl)-[2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperidin-1-yl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

413.22787 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.23515 204.9
[M+Na]+ 436.21709 207.0
[M-H]- 412.22059 208.2
[M+NH4]+ 431.26169 209.5
[M+K]+ 452.19103 199.3
[M+H-H2O]+ 396.22513 189.1
[M+HCOO]- 458.22607 212.5
[M+CH3COO]- 472.24172 209.4
[M+Na-2H]- 434.20254 200.6
[M]+ 413.22732 194.1
[M]- 413.22842 194.1
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