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 189.2
[M+Na]+ 370.17776 196.0
[M-H]- 346.18126 192.9
[M+NH4]+ 365.22236 200.1
[M+K]+ 386.15170 186.7
[M+H-H2O]+ 330.18580 173.0
[M+HCOO]- 392.18674 200.4
[M+CH3COO]- 406.20239 214.7
[M+Na-2H]- 368.16321 189.5
[M]+ 347.18799 180.5
[M]- 347.18909 180.5
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.