CID 3051079

3,4-piperidinediol, 1,3-dimethyl-6-(4-methoxyphenyl)-, diacetate (ester), hydrochloride, (3-alpha,4-beta,6-beta)-

Structural Information

Molecular Formula
C18H25NO4
SMILES
CC1=CC=C(C=C1)[C@@H]2C[C@@H]([C@](CN2C)(C)OC(=O)C)OC(=O)C
InChI
InChI=1S/C18H25NO4/c1-12-6-8-15(9-7-12)16-10-17(22-13(2)20)18(4,11-19(16)5)23-14(3)21/h6-9,16-17H,10-11H2,1-5H3/t16-,17-,18+/m0/s1
InChIKey
DIPMVRAYSYDNEN-OKZBNKHCSA-N
Compound name
[(2S,4S,5R)-5-acetyloxy-1,5-dimethyl-2-(4-methylphenyl)piperidin-4-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.17834 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.18562 175.8
[M+Na]+ 342.16756 187.0
[M+NH4]+ 337.21216 183.1
[M+K]+ 358.14150 180.0
[M-H]- 318.17106 177.6
[M+Na-2H]- 340.15301 181.4
[M]+ 319.17779 177.8
[M]- 319.17889 177.8
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.