CID 3042357

Piperidine, 4-(2-(4-(4-fluorophenyl)-1-piperazinyl)ethyl)-1-(4-methoxybenzoyl)-, dihydrochloride

Structural Information

Molecular Formula
C25H32FN3O2
SMILES
COC1=CC=C(C=C1)C(=O)N2CCC(CC2)CCN3CCN(CC3)C4=CC=C(C=C4)F
InChI
InChI=1S/C25H32FN3O2/c1-31-24-8-2-21(3-9-24)25(30)29-14-11-20(12-15-29)10-13-27-16-18-28(19-17-27)23-6-4-22(26)5-7-23/h2-9,20H,10-19H2,1H3
InChIKey
ULRAEMILVYZOFA-UHFFFAOYSA-N
Compound name
[4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperidin-1-yl]-(4-methoxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

425.24786 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.25514 210.1
[M+Na]+ 448.23708 222.4
[M+NH4]+ 443.28168 215.8
[M+K]+ 464.21102 213.8
[M-H]- 424.24058 214.9
[M+Na-2H]- 446.22253 216.9
[M]+ 425.24731 213.0
[M]- 425.24841 213.0
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.