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 178.5
[M+Na]+ 348.15702 185.0
[M-H]- 324.16052 185.3
[M+NH4]+ 343.20162 192.2
[M+K]+ 364.13096 180.3
[M+H-H2O]+ 308.16506 169.0
[M+HCOO]- 370.16600 195.8
[M+CH3COO]- 384.18165 206.7
[M+Na-2H]- 346.14247 180.6
[M]+ 325.16725 176.8
[M]- 325.16835 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.