CID 135410911

Tifenazoxide

Structural Information

Molecular Formula
C9H10ClN3O2S2
SMILES
CC1(CC1)N=C2NC3=C(SC(=C3)Cl)S(=O)(=O)N2
InChI
InChI=1S/C9H10ClN3O2S2/c1-9(2-3-9)12-8-11-5-4-6(10)16-7(5)17(14,15)13-8/h4H,2-3H2,1H3,(H2,11,12,13)
InChIKey
KYSFUHHFTIGRJN-UHFFFAOYSA-N
Compound name
6-chloro-N-(1-methylcyclopropyl)-1,1-dioxo-4H-thieno[3,2-e][1,2,4]thiadiazin-3-imine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

23
References

109
Patents

290.9903 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.99758 161.5
[M+Na]+ 313.97952 173.1
[M+NH4]+ 309.02412 172.4
[M+K]+ 329.95346 163.3
[M-H]- 289.98302 169.7
[M+Na-2H]- 311.96497 169.9
[M]+ 290.98975 167.8
[M]- 290.99085 167.8
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