CID 475543

(2r,3r,4r,5s)-2-(hydroxymethyl)-1-[6-[2-(2-methoxyethoxy)ethoxy]hexyl]piperidine-3,4,5-triol

Structural Information

Molecular Formula
C17H35NO7
SMILES
COCCOCCOCCCCCCN1C[C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O
InChI
InChI=1S/C17H35NO7/c1-23-8-9-25-11-10-24-7-5-3-2-4-6-18-12-15(20)17(22)16(21)14(18)13-19/h14-17,19-22H,2-13H2,1H3/t14-,15+,16-,17-/m1/s1
InChIKey
PBJSXKWRPKYEDY-YYIAUSFCSA-N
Compound name
(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[6-[2-(2-methoxyethoxy)ethoxy]hexyl]piperidine-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

365.24136 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.24864 187.9
[M+Na]+ 388.23058 189.8
[M-H]- 364.23408 182.9
[M+NH4]+ 383.27518 196.5
[M+K]+ 404.20452 187.4
[M+H-H2O]+ 348.23862 180.2
[M+HCOO]- 410.23956 199.3
[M+CH3COO]- 424.25521 208.9
[M+Na-2H]- 386.21603 185.0
[M]+ 365.24081 191.2
[M]- 365.24191 191.2
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.