CID 394397

Tizoxanide

Structural Information

Molecular Formula
C10H7N3O4S
SMILES
C1=CC=C(C(=C1)C(=O)NC2=NC=C(S2)[N+](=O)[O-])O
InChI
InChI=1S/C10H7N3O4S/c14-7-4-2-1-3-6(7)9(15)12-10-11-5-8(18-10)13(16)17/h1-5,14H,(H,11,12,15)
InChIKey
FDTZUTSGGSRHQF-UHFFFAOYSA-N
Compound name
2-hydroxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

92
References

941
Patents

265.01572 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.02300 152.5
[M+Na]+ 288.00494 159.2
[M-H]- 264.00844 157.5
[M+NH4]+ 283.04954 167.7
[M+K]+ 303.97888 151.6
[M+H-H2O]+ 248.01298 149.7
[M+HCOO]- 310.01392 172.6
[M+CH3COO]- 324.02957 185.4
[M+Na-2H]- 285.99039 157.1
[M]+ 265.01517 151.4
[M]- 265.01627 151.4
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