CID 3039648

50910-24-2

Structural Information

Molecular Formula
C20H24ClNO
SMILES
C1CCN(CC1)CCC(C2=CC=C(C=C2)C3=CC=C(C=C3)Cl)O
InChI
InChI=1S/C20H24ClNO/c21-19-10-8-17(9-11-19)16-4-6-18(7-5-16)20(23)12-15-22-13-2-1-3-14-22/h4-11,20,23H,1-3,12-15H2
InChIKey
CIYOUDPREVSLBI-UHFFFAOYSA-N
Compound name
1-[4-(4-chlorophenyl)phenyl]-3-piperidin-1-ylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.15463 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.16191 179.2
[M+Na]+ 352.14385 183.1
[M-H]- 328.14735 184.4
[M+NH4]+ 347.18845 191.0
[M+K]+ 368.11779 176.1
[M+H-H2O]+ 312.15189 169.8
[M+HCOO]- 374.15283 190.2
[M+CH3COO]- 388.16848 187.6
[M+Na-2H]- 350.12930 179.8
[M]+ 329.15408 175.8
[M]- 329.15518 175.8
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.