CID 3042335

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

Structural Information

Molecular Formula
C24H29ClFN3O
SMILES
C1CCN(C(C1)CCN2CCN(CC2)C3=CC=C(C=C3)F)C(=O)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C24H29ClFN3O/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
HJGQXROWDQOLOM-UHFFFAOYSA-N
Compound name
(4-chlorophenyl)-[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

0
Patents

429.1983 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.20558 206.9
[M+Na]+ 452.18752 209.7
[M-H]- 428.19102 211.3
[M+NH4]+ 447.23212 211.9
[M+K]+ 468.16146 201.2
[M+H-H2O]+ 412.19556 192.1
[M+HCOO]- 474.19650 211.0
[M+CH3COO]- 488.21215 211.7
[M+Na-2H]- 450.17297 202.8
[M]+ 429.19775 199.5
[M]- 429.19885 199.5
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.