CID 41684

Nitazoxanide

Structural Information

Molecular Formula
C12H9N3O5S
SMILES
CC(=O)OC1=CC=CC=C1C(=O)NC2=NC=C(S2)[N+](=O)[O-]
InChI
InChI=1S/C12H9N3O5S/c1-7(16)20-9-5-3-2-4-8(9)11(17)14-12-13-6-10(21-12)15(18)19/h2-6H,1H3,(H,13,14,17)
InChIKey
YQNQNVDNTFHQSW-UHFFFAOYSA-N
Compound name
[2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

778
References

14466
Patents

307.0263 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.03358 162.9
[M+Na]+ 330.01552 173.0
[M+NH4]+ 325.06012 168.6
[M+K]+ 345.98946 171.9
[M-H]- 306.01902 165.6
[M+Na-2H]- 328.00097 168.1
[M]+ 307.02575 165.0
[M]- 307.02685 165.0
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