CID 451948

Dd-tiazofurin

Structural Information

Molecular Formula
C9H12N2O3S
SMILES
C1C[C@@H](O[C@@H]1CO)C2=NC(=CS2)C(=O)N
InChI
InChI=1S/C9H12N2O3S/c10-8(13)6-4-15-9(11-6)7-2-1-5(3-12)14-7/h4-5,7,12H,1-3H2,(H2,10,13)/t5-,7+/m0/s1
InChIKey
BOSXZRVOIJIWQV-CAHLUQPWSA-N
Compound name
2-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-1,3-thiazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

228.05687 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.06415 149.2
[M+Na]+ 251.04609 156.6
[M-H]- 227.04959 154.1
[M+NH4]+ 246.09069 167.5
[M+K]+ 267.02003 155.2
[M+H-H2O]+ 211.05413 143.6
[M+HCOO]- 273.05507 165.5
[M+CH3COO]- 287.07072 184.7
[M+Na-2H]- 249.03154 147.5
[M]+ 228.05632 149.1
[M]- 228.05742 149.1
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.