CID 3064336

4-piperidinol, 4-(p-chlorophenyl)-1-((2-phenylcyclopropyl)methyl)-, hydrochloride, (e)-

Structural Information

Molecular Formula
C21H24ClNO
SMILES
C1CN(CCC1(C2=CC=C(C=C2)Cl)O)C[C@@H]3C[C@H]3C4=CC=CC=C4
InChI
InChI=1S/C21H24ClNO/c22-19-8-6-18(7-9-19)21(24)10-12-23(13-11-21)15-17-14-20(17)16-4-2-1-3-5-16/h1-9,17,20,24H,10-15H2/t17-,20-/m0/s1
InChIKey
UYVADVRXEPQYAH-PXNSSMCTSA-N
Compound name
4-(4-chlorophenyl)-1-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.15463 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.16191 178.0
[M+Na]+ 364.14385 185.2
[M-H]- 340.14735 187.1
[M+NH4]+ 359.18845 187.0
[M+K]+ 380.11779 179.0
[M+H-H2O]+ 324.15189 169.0
[M+HCOO]- 386.15283 190.6
[M+CH3COO]- 400.16848 187.1
[M+Na-2H]- 362.12930 180.0
[M]+ 341.15408 177.3
[M]- 341.15518 177.3
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.