CID 6444554

1-cinnamyl-4-phenyl-4-piperidinol propionate 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]+ 350.21148 188.6
[M+Na]+ 372.19342 191.6
[M-H]- 348.19692 195.0
[M+NH4]+ 367.23802 201.0
[M+K]+ 388.16736 186.2
[M+H-H2O]+ 332.20146 177.8
[M+HCOO]- 394.20240 205.3
[M+CH3COO]- 408.21805 211.1
[M+Na-2H]- 370.17887 190.1
[M]+ 349.20365 185.4
[M]- 349.20475 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.