CID 3042337

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

Structural Information

Molecular Formula
C25H32FN3O
SMILES
C1CCN(C(C1)CCN2CCN(CC2)C3=CC=C(C=C3)F)C(=O)CC4=CC=CC=C4
InChI
InChI=1S/C25H32FN3O/c26-22-9-11-23(12-10-22)28-18-16-27(17-19-28)15-13-24-8-4-5-14-29(24)25(30)20-21-6-2-1-3-7-21/h1-3,6-7,9-12,24H,4-5,8,13-20H2
InChIKey
LSNSHZHQYAQASW-UHFFFAOYSA-N
Compound name
1-[2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperidin-1-yl]-2-phenylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.25293 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.26021 204.8
[M+Na]+ 432.24215 205.4
[M-H]- 408.24565 208.9
[M+NH4]+ 427.28675 209.3
[M+K]+ 448.21609 198.0
[M+H-H2O]+ 392.25019 189.5
[M+HCOO]- 454.25113 213.1
[M+CH3COO]- 468.26678 209.2
[M+Na-2H]- 430.22760 201.4
[M]+ 409.25238 194.8
[M]- 409.25348 194.8
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

No patent data available for this compound.