CID 3042339

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

Structural Information

Molecular Formula
C24H29Cl2N3O
SMILES
C1CCN(C(C1)CCN2CCN(CC2)C3=CC=C(C=C3)Cl)C(=O)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C24H29Cl2N3O/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
WOVHQAXQPFCQOR-UHFFFAOYSA-N
Compound name
(4-chlorophenyl)-[2-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]piperidin-1-yl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

445.16876 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.17604 208.4
[M+Na]+ 468.15798 211.4
[M-H]- 444.16148 213.2
[M+NH4]+ 463.20258 213.3
[M+K]+ 484.13192 202.8
[M+H-H2O]+ 428.16602 194.7
[M+HCOO]- 490.16696 208.5
[M+CH3COO]- 504.18261 213.0
[M+Na-2H]- 466.14343 204.2
[M]+ 445.16821 203.4
[M]- 445.16931 203.4
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.