CID 73479

Isotiazofurin

Structural Information

Molecular Formula
C9H12N2O5S
SMILES
C1=C(N=C(S1)C(=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
InChI
InChI=1S/C9H12N2O5S/c10-8(15)9-11-3(2-17-9)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
OUMYBZQESQTRHV-GBNDHIKLSA-N
Compound name
4-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-thiazole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
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

No patent data available for this compound.