CID 3046469

4-phenyl-1-(3-phenyl-2-propynyl)-4-piperidinol propionate hydrochloride

Structural Information

Molecular Formula
C23H25NO2
SMILES
CCC(=O)OC1(CCN(CC1)CC#CC2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C23H25NO2/c1-2-22(25)26-23(21-13-7-4-8-14-21)15-18-24(19-16-23)17-9-12-20-10-5-3-6-11-20/h3-8,10-11,13-14H,2,15-19H2,1H3
InChIKey
MGKZEMYRGUYKCH-UHFFFAOYSA-N
Compound name
[4-phenyl-1-(3-phenylprop-2-ynyl)piperidin-4-yl] propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.18854 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.19582 187.7
[M+Na]+ 370.17776 200.8
[M+NH4]+ 365.22236 193.1
[M+K]+ 386.15170 187.0
[M-H]- 346.18126 184.8
[M+Na-2H]- 368.16321 194.0
[M]+ 347.18799 188.1
[M]- 347.18909 188.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.