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 162.6
[M+Na]+ 302.13628 170.8
[M-H]- 278.13978 167.1
[M+NH4]+ 297.18088 179.2
[M+K]+ 318.11022 168.6
[M+H-H2O]+ 262.14432 155.7
[M+HCOO]- 324.14526 180.5
[M+CH3COO]- 338.16091 199.2
[M+Na-2H]- 300.12173 164.8
[M]+ 279.14651 163.9
[M]- 279.14761 163.9
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.