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]+ 356.258406 191.1
[M+Na]+ 378.240348 192.9
[M-H]- 354.243854 195.0
[M+NH4]+ 373.284953 206.3
[M+K]+ 394.214288 187.8
[M+H-H2O]+ 338.248390 181.0
[M+HCOO]- 400.249331 198.2
[M+CH3COO]- 414.264981 197.5
[M+Na-2H]- 376.225796 190.7
[M]+ 355.25058142 181.7
[M]- 355.25167858 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.