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

literature stripe

Patent stripe

patents stripe