CID 3050452

4-piperidone, 6-equatorial-(2,4-dimethoxyphenyl)-1-equatorial,3-axial-dimethyl-3-equatorial-hydroxy-, hydrochloride

Structural Information

Molecular Formula
C15H21NO4
SMILES
C[C@]1(CN([C@@H](CC1=O)C2=C(C=C(C=C2)OC)OC)C)O
InChI
InChI=1S/C15H21NO4/c1-15(18)9-16(2)12(8-14(15)17)11-6-5-10(19-3)7-13(11)20-4/h5-7,12,18H,8-9H2,1-4H3/t12-,15+/m0/s1
InChIKey
VXFQLNLHEJJZPW-SWLSCSKDSA-N
Compound name
(2S,5R)-2-(2,4-dimethoxyphenyl)-5-hydroxy-1,5-dimethylpiperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.14706 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.15434 164.4
[M+Na]+ 302.13628 176.7
[M+NH4]+ 297.18088 172.4
[M+K]+ 318.11022 169.3
[M-H]- 278.13978 166.5
[M+Na-2H]- 300.12173 170.7
[M]+ 279.14651 166.8
[M]- 279.14761 166.8
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.