CID 460362

6-[(2s,5s)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-1,1-dioxo-1,2,6-thiadiazin-3-one

Structural Information

Molecular Formula
C7H10N2O5S2
SMILES
C1[C@H](O[C@@H](S1)CO)N2C=CC(=O)NS2(=O)=O
InChI
InChI=1S/C7H10N2O5S2/c10-3-7-14-6(4-15-7)9-2-1-5(11)8-16(9,12)13/h1-2,6-7,10H,3-4H2,(H,8,11)/t6-,7-/m0/s1
InChIKey
LLVLEPSMZAZQJV-BQBZGAKWSA-N
Compound name
6-[(2S,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-1,1-dioxo-1,2,6-thiadiazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.0031 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.01038 150.7
[M+Na]+ 288.99232 159.3
[M-H]- 264.99582 152.6
[M+NH4]+ 284.03692 166.2
[M+K]+ 304.96626 156.1
[M+H-H2O]+ 249.00036 146.3
[M+HCOO]- 311.00130 157.3
[M+CH3COO]- 325.01695 183.0
[M+Na-2H]- 286.97777 151.3
[M]+ 266.00255 150.5
[M]- 266.00365 150.5
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.