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 191.1
[M+Na]+ 378.24035 192.9
[M-H]- 354.24385 195.0
[M+NH4]+ 373.28495 206.3
[M+K]+ 394.21429 187.8
[M+H-H2O]+ 338.24839 181.0
[M+HCOO]- 400.24933 198.2
[M+CH3COO]- 414.26498 197.5
[M+Na-2H]- 376.22580 190.7
[M]+ 355.25058 181.7
[M]- 355.25168 181.7
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.