CID 3042345

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

Structural Information

Molecular Formula
C25H32FN3O2
SMILES
COC1=CC=C(C=C1)C(=O)N2CCCCC2CCN3CCN(CC3)C4=CC=C(C=C4)F
InChI
InChI=1S/C25H32FN3O2/c1-31-24-11-5-20(6-12-24)25(30)29-14-3-2-4-23(29)13-15-27-16-18-28(19-17-27)22-9-7-21(26)8-10-22/h5-12,23H,2-4,13-19H2,1H3
InChIKey
XLLTWCYVZYEURR-UHFFFAOYSA-N
Compound name
[2-[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

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.25514 208.4
[M+Na]+ 448.23708 209.8
[M-H]- 424.24058 213.0
[M+NH4]+ 443.28168 212.5
[M+K]+ 464.21102 203.1
[M+H-H2O]+ 408.24512 193.2
[M+HCOO]- 470.24606 216.9
[M+CH3COO]- 484.26171 213.0
[M+Na-2H]- 446.22253 204.4
[M]+ 425.24731 200.3
[M]- 425.24841 200.3
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.