CID 13332795

1-(4-penten-2-ynyl)-4-phenyl-4-piperidinol propanoate (ester) hydrochloride

Structural Information

Molecular Formula
C19H23NO2
SMILES
CCC(=O)OC1(CCN(CC1)CC#CC=C)C2=CC=CC=C2
InChI
InChI=1S/C19H23NO2/c1-3-5-9-14-20-15-12-19(13-16-20,22-18(21)4-2)17-10-7-6-8-11-17/h3,6-8,10-11H,1,4,12-16H2,2H3
InChIKey
ZDHLUNBFXKPDSM-UHFFFAOYSA-N
Compound name
(1-pent-4-en-2-ynyl-4-phenylpiperidin-4-yl) propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.17288 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.18016 173.2
[M+Na]+ 320.16210 184.4
[M+NH4]+ 315.20670 177.9
[M+K]+ 336.13604 172.0
[M-H]- 296.16560 167.6
[M+Na-2H]- 318.14755 177.0
[M]+ 297.17233 172.4
[M]- 297.17343 172.4
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.