CID 457954

Tiazofurin

Structural Information

Molecular Formula
C9H12N2O5S
SMILES
C1=C(N=C(S1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C(=O)N
InChI
InChI=1S/C9H12N2O5S/c10-8(15)3-2-17-9(11-3)7-6(14)5(13)4(1-12)16-7/h2,4-7,12-14H,1H2,(H2,10,15)/t4-,5-,6-,7-/m1/s1
InChIKey
FVRDYQYEVDDKCR-DBRKOABJSA-N
Compound name
2-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-thiazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

334
References

25907
Patents

260.0467 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.05398 154.8
[M+Na]+ 283.03592 162.2
[M-H]- 259.03942 157.5
[M+NH4]+ 278.08052 170.6
[M+K]+ 299.00986 160.2
[M+H-H2O]+ 243.04396 149.9
[M+HCOO]- 305.04490 168.3
[M+CH3COO]- 319.06055 187.3
[M+Na-2H]- 281.02137 151.7
[M]+ 260.04615 154.7
[M]- 260.04725 154.7
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

patents stripe