CID 4369162

8,9,10-trihydroxy-7-hydroxymethyl-2-thioxo-6-oxa-1,3-diaza-spiro[4.5]decan-4-one

Structural Information

Molecular Formula
C8H12N2O6S
SMILES
C([C@@H]1[C@H]([C@@H]([C@H]([C@]2(O1)C(=O)NC(=S)N2)O)O)O)O
InChI
InChI=1S/C8H12N2O6S/c11-1-2-3(12)4(13)5(14)8(16-2)6(15)9-7(17)10-8/h2-5,11-14H,1H2,(H2,9,10,15,17)/t2-,3-,4+,5-,8+/m1/s1
InChIKey
OEWLGQKSTDZKFN-WWHASAIZSA-N
Compound name
(5S,7R,8S,9S,10R)-8,9,10-trihydroxy-7-(hydroxymethyl)-2-sulfanylidene-6-oxa-1,3-diazaspiro[4.5]decan-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

0
Patents

264.0416 Da
Monoisotopic Mass

-2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.04888 154.8
[M+Na]+ 287.03082 162.0
[M-H]- 263.03432 150.7
[M+NH4]+ 282.07542 168.1
[M+K]+ 303.00476 157.7
[M+H-H2O]+ 247.03886 151.2
[M+HCOO]- 309.03980 158.4
[M+CH3COO]- 323.05545 179.3
[M+Na-2H]- 285.01627 153.6
[M]+ 264.04105 149.2
[M]- 264.04215 149.2
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

No patent data available for this compound.