CID 3051071

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

Structural Information

Molecular Formula
C17H23NO4
SMILES
CC(=O)O[C@H]1C[C@@H](N(C[C@@]1(C)OC(=O)C)C)C2=CC=CC=C2
InChI
InChI=1S/C17H23NO4/c1-12(19)21-16-10-15(14-8-6-5-7-9-14)18(4)11-17(16,3)22-13(2)20/h5-9,15-16H,10-11H2,1-4H3/t15-,16+,17-/m1/s1
InChIKey
QAZUWMPRGAZEQZ-IXDOHACOSA-N
Compound name
[(2R,4S,5R)-5-acetyloxy-1,5-dimethyl-2-phenylpiperidin-4-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.16272 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.17000 171.8
[M+Na]+ 328.15194 182.9
[M+NH4]+ 323.19654 179.4
[M+K]+ 344.12588 175.9
[M-H]- 304.15544 173.7
[M+Na-2H]- 326.13739 177.9
[M]+ 305.16217 173.9
[M]- 305.16327 173.9
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.