CID 451530

Nd900

Structural Information

Molecular Formula
C15H23NO4
SMILES
C1[C@@H]([C@H]([C@@H]([C@H](N1CCCC2=CC=CC=C2)CO)O)O)O
InChI
InChI=1S/C15H23NO4/c17-10-12-14(19)15(20)13(18)9-16(12)8-4-7-11-5-2-1-3-6-11/h1-3,5-6,12-15,17-20H,4,7-10H2/t12-,13+,14-,15-/m1/s1
InChIKey
MUJKKNQFSSWNPA-LXTVHRRPSA-N
Compound name
(2R,3R,4R,5S)-2-(hydroxymethyl)-1-(3-phenylpropyl)piperidine-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

73
Patents

281.16272 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.17000 167.2
[M+Na]+ 304.15194 171.9
[M-H]- 280.15544 166.6
[M+NH4]+ 299.19654 179.2
[M+K]+ 320.12588 167.2
[M+H-H2O]+ 264.15998 159.8
[M+HCOO]- 326.16092 180.2
[M+CH3COO]- 340.17657 192.2
[M+Na-2H]- 302.13739 167.1
[M]+ 281.16217 162.8
[M]- 281.16327 162.8
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.