CID 3050460

4-piperidone, 1-equatorial-benzyl-3-axial-hydroxy-6-equatorial-(p-methoxyphenyl)-3-equatorial-methyl-, hydrochloride

Structural Information

Molecular Formula
C20H23NO3
SMILES
C[C@@]1(CN([C@@H](CC1=O)C2=CC=C(C=C2)OC)CC3=CC=CC=C3)O
InChI
InChI=1S/C20H23NO3/c1-20(23)14-21(13-15-6-4-3-5-7-15)18(12-19(20)22)16-8-10-17(24-2)11-9-16/h3-11,18,23H,12-14H2,1-2H3/t18-,20-/m0/s1
InChIKey
RKYUJBXWUYBMSO-ICSRJNTNSA-N
Compound name
(2S,5S)-1-benzyl-5-hydroxy-2-(4-methoxyphenyl)-5-methylpiperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.1678 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.17508 179.1
[M+Na]+ 348.15702 193.5
[M+NH4]+ 343.20162 188.1
[M+K]+ 364.13096 183.6
[M-H]- 324.16052 184.4
[M+Na-2H]- 346.14247 188.8
[M]+ 325.16725 182.9
[M]- 325.16835 182.9
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.