CID 6444554

4-piperidinol, 1-cinnamyl-4-phenyl-, propionate (ester), hydrochloride

Structural Information

Molecular Formula
C23H27NO2
SMILES
CCC(=O)OC1(CCN(CC1)C/C=C/C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C23H27NO2/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/h3-14H,2,15-19H2,1H3/b12-9+
InChIKey
STWAFYHWLNRRHY-FMIVXFBMSA-N
Compound name
[4-phenyl-1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl] propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.2042 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.211476 188.6
[M+Na]+ 372.193418 191.6
[M-H]- 348.196924 195.0
[M+NH4]+ 367.238023 201.0
[M+K]+ 388.167358 186.2
[M+H-H2O]+ 332.201460 177.8
[M+HCOO]- 394.202401 205.3
[M+CH3COO]- 408.218051 211.1
[M+Na-2H]- 370.178866 190.1
[M]+ 349.20365142 185.4
[M]- 349.20474858 185.4
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.