CID 6447516

Brn 5758357

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]+ 322.21654 181.3
[M+Na]+ 344.19848 186.4
[M-H]- 320.20198 187.3
[M+NH4]+ 339.24308 195.1
[M+K]+ 360.17242 179.8
[M+H-H2O]+ 304.20652 171.6
[M+HCOO]- 366.20746 197.6
[M+CH3COO]- 380.22311 206.5
[M+Na-2H]- 342.18393 182.8
[M]+ 321.20871 176.8
[M]- 321.20981 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.