CID 37424

Bicyclo(3.3.1)nonan-9-ol, 2-(4-acetyl-4-phenyl-1-piperidyl)-9-methyl-, hydrochloride

Structural Information

Molecular Formula
C23H33NO2
SMILES
CC(=O)C1(CCN(CC1)C2CCC3CCCC2C3(C)O)C4=CC=CC=C4
InChI
InChI=1S/C23H33NO2/c1-17(25)23(19-7-4-3-5-8-19)13-15-24(16-14-23)21-12-11-18-9-6-10-20(21)22(18,2)26/h3-5,7-8,18,20-21,26H,6,9-16H2,1-2H3
InChIKey
HFSPTFMXNJSSRE-UHFFFAOYSA-N
Compound name
1-[1-(9-hydroxy-9-methyl-2-bicyclo[3.3.1]nonanyl)-4-phenylpiperidin-4-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.25113 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.25841 191.7
[M+Na]+ 378.24035 202.4
[M+NH4]+ 373.28495 203.0
[M+K]+ 394.21429 190.6
[M-H]- 354.24385 196.3
[M+Na-2H]- 376.22580 198.0
[M]+ 355.25058 194.7
[M]- 355.25168 194.7
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.