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 170.6
[M+Na]+ 328.15194 176.4
[M-H]- 304.15544 175.5
[M+NH4]+ 323.19654 186.1
[M+K]+ 344.12588 175.0
[M+H-H2O]+ 288.15998 163.0
[M+HCOO]- 350.16092 187.6
[M+CH3COO]- 364.17657 204.8
[M+Na-2H]- 326.13739 171.2
[M]+ 305.16217 171.5
[M]- 305.16327 171.5
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.