CID 3051075

3,4-piperidinediol, 3-methyl-6-phenyl-1-(phenylmethyl)-, hydrochloride, (3-alpha,4-beta,6-beta)-

Structural Information

Molecular Formula
C19H23NO2
SMILES
C[C@@]1(CN([C@@H](C[C@@H]1O)C2=CC=CC=C2)CC3=CC=CC=C3)O
InChI
InChI=1S/C19H23NO2/c1-19(22)14-20(13-15-8-4-2-5-9-15)17(12-18(19)21)16-10-6-3-7-11-16/h2-11,17-18,21-22H,12-14H2,1H3/t17-,18-,19-/m0/s1
InChIKey
VAKBKORICCUVPK-FHWLQOOXSA-N
Compound name
(3S,4S,6S)-1-benzyl-3-methyl-6-phenylpiperidine-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.17288 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.18016 173.2
[M+Na]+ 320.16210 187.4
[M+NH4]+ 315.20670 182.9
[M+K]+ 336.13604 177.4
[M-H]- 296.16560 178.8
[M+Na-2H]- 318.14755 183.4
[M]+ 297.17233 177.1
[M]- 297.17343 177.1
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.