CID 49768190

(3s,4r)-1-benzyl-4-phenyl-piperidine-3,4-diol

Structural Information

Molecular Formula
C18H21NO2
SMILES
C1CN(C[C@@H]([C@@]1(C2=CC=CC=C2)O)O)CC3=CC=CC=C3
InChI
InChI=1S/C18H21NO2/c20-17-14-19(13-15-7-3-1-4-8-15)12-11-18(17,21)16-9-5-2-6-10-16/h1-10,17,20-21H,11-14H2/t17-,18+/m0/s1
InChIKey
NERUEKQJMONQBJ-ZWKOTPCHSA-N
Compound name
(3S,4R)-1-benzyl-4-phenylpiperidine-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.15723 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.16451 168.4
[M+Na]+ 306.14645 173.4
[M-H]- 282.14995 173.4
[M+NH4]+ 301.19105 182.8
[M+K]+ 322.12039 168.0
[M+H-H2O]+ 266.15449 159.4
[M+HCOO]- 328.15543 184.6
[M+CH3COO]- 342.17108 178.0
[M+Na-2H]- 304.13190 172.4
[M]+ 283.15668 162.7
[M]- 283.15778 162.7
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.