CID 3064328

4-piperidinol, 4-(p-chlorophenyl)-1-(1-(p-chlorophenyl)cyclohexyl)-, hydrochloride

Structural Information

Molecular Formula
C23H27Cl2NO
SMILES
C1CCC(CC1)(C2=CC=C(C=C2)Cl)N3CCC(CC3)(C4=CC=C(C=C4)Cl)O
InChI
InChI=1S/C23H27Cl2NO/c24-20-8-4-18(5-9-20)22(12-2-1-3-13-22)26-16-14-23(27,15-17-26)19-6-10-21(25)11-7-19/h4-11,27H,1-3,12-17H2
InChIKey
QDVRFVCHUBBAMV-UHFFFAOYSA-N
Compound name
4-(4-chlorophenyl)-1-[1-(4-chlorophenyl)cyclohexyl]piperidin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.14697 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.15425 197.2
[M+Na]+ 426.13619 201.9
[M-H]- 402.13969 204.4
[M+NH4]+ 421.18079 210.0
[M+K]+ 442.11013 193.6
[M+H-H2O]+ 386.14423 186.5
[M+HCOO]- 448.14517 200.4
[M+CH3COO]- 462.16082 204.0
[M+Na-2H]- 424.12164 196.8
[M]+ 403.14642 191.1
[M]- 403.14752 191.1
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.