CID 46937156

(3s,5r,7r,8s,9s,10r)-7-(hydroxymethyl)-3-(2-naphthyl)-1,6-dioxa-2-azaspiro[4.5]decane-8,9,10-triol

Structural Information

Molecular Formula
C18H21NO6
SMILES
C1[C@H](NO[C@@]12[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C3=CC4=CC=CC=C4C=C3
InChI
InChI=1S/C18H21NO6/c20-9-14-15(21)16(22)17(23)18(24-14)8-13(19-25-18)12-6-5-10-3-1-2-4-11(10)7-12/h1-7,13-17,19-23H,8-9H2/t13-,14+,15+,16-,17+,18+/m0/s1
InChIKey
ZCJBDRSKHARECB-PYTCMNEWSA-N
Compound name
(3S,5R,6R,7S,8S,9R)-9-(hydroxymethyl)-3-naphthalen-2-yl-1,10-dioxa-2-azaspiro[4.5]decane-6,7,8-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

347.1369 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.14418 179.3
[M+Na]+ 370.12612 185.3
[M-H]- 346.12962 182.6
[M+NH4]+ 365.17072 190.1
[M+K]+ 386.10006 182.1
[M+H-H2O]+ 330.13416 172.6
[M+HCOO]- 392.13510 187.2
[M+CH3COO]- 406.15075 187.4
[M+Na-2H]- 368.11157 180.9
[M]+ 347.13635 174.6
[M]- 347.13745 174.6
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.