CID 460364

[(2s,5r)-5-(5-amino-1,1-dioxo-1,2,6-thiadiazin-2-yl)-1,3-oxathiolan-2-yl]methanol

Structural Information

Molecular Formula
C7H11N3O4S2
SMILES
C1[C@@H](O[C@@H](S1)CO)N2C=CC(=NS2(=O)=O)N
InChI
InChI=1S/C7H11N3O4S2/c8-5-1-2-10(16(12,13)9-5)6-4-15-7(3-11)14-6/h1-2,6-7,11H,3-4H2,(H2,8,9)/t6-,7+/m1/s1
InChIKey
ZMFGKJCZJFLGQI-RQJHMYQMSA-N
Compound name
[(2S,5R)-5-(5-amino-1,1-dioxo-1,2,6-thiadiazin-2-yl)-1,3-oxathiolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.0191 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.02638 150.1
[M+Na]+ 288.00832 159.3
[M-H]- 264.01182 153.1
[M+NH4]+ 283.05292 166.0
[M+K]+ 303.98226 156.1
[M+H-H2O]+ 248.01636 144.9
[M+HCOO]- 310.01730 159.5
[M+CH3COO]- 324.03295 187.9
[M+Na-2H]- 285.99377 151.4
[M]+ 265.01855 150.5
[M]- 265.01965 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.