CID 6447516

4-piperidinol, 1-cinnamyl-2,3-dimethyl-4-phenyl-

Structural Information

Molecular Formula
C22H27NO
SMILES
CC1C(N(CCC1(C2=CC=CC=C2)O)C/C=C/C3=CC=CC=C3)C
InChI
InChI=1S/C22H27NO/c1-18-19(2)23(16-9-12-20-10-5-3-6-11-20)17-15-22(18,24)21-13-7-4-8-14-21/h3-14,18-19,24H,15-17H2,1-2H3/b12-9+
InChIKey
JPDCXPCHWUNGHY-FMIVXFBMSA-N
Compound name
2,3-dimethyl-4-phenyl-1-[(E)-3-phenylprop-2-enyl]piperidin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.20926 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.216536 181.3
[M+Na]+ 344.198478 186.4
[M-H]- 320.201984 187.3
[M+NH4]+ 339.243083 195.1
[M+K]+ 360.172418 179.8
[M+H-H2O]+ 304.206520 171.6
[M+HCOO]- 366.207461 197.6
[M+CH3COO]- 380.223111 206.5
[M+Na-2H]- 342.183926 182.8
[M]+ 321.20871142 176.8
[M]- 321.20980858 176.8
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.