CID 503108

3-((2s,3r,4s,5r)-3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-2,4-dioxo-3,4-dihydro-2h-[1,3]thiazine-6-carboxylic acid methyl ester

Structural Information

Molecular Formula
C11H13NO8S
SMILES
COC(=O)C1=CC(=O)N(C(=O)S1)[C@@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
InChI
InChI=1S/C11H13NO8S/c1-19-10(17)5-2-6(14)12(11(18)21-5)9-8(16)7(15)4(3-13)20-9/h2,4,7-9,13,15-16H,3H2,1H3/t4-,7-,8-,9+/m1/s1
InChIKey
SAXVYFPBDKWNTP-GXTPVXIHSA-N
Compound name
methyl 3-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxo-1,3-thiazine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

319.0362 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.04348 163.9
[M+Na]+ 342.02542 172.8
[M-H]- 318.02892 167.3
[M+NH4]+ 337.07002 176.2
[M+K]+ 357.99936 171.1
[M+H-H2O]+ 302.03346 158.4
[M+HCOO]- 364.03440 176.4
[M+CH3COO]- 378.05005 196.3
[M+Na-2H]- 340.01087 161.9
[M]+ 319.03565 168.9
[M]- 319.03675 168.9
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.