CID 5487

Tizanidine

Structural Information

Molecular Formula
C9H8ClN5S
SMILES
C1CN=C(N1)NC2=C(C=CC3=NSN=C32)Cl
InChI
InChI=1S/C9H8ClN5S/c10-5-1-2-6-8(15-16-14-6)7(5)13-9-11-3-4-12-9/h1-2H,3-4H2,(H2,11,12,13)
InChIKey
XFYDIVBRZNQMJC-UHFFFAOYSA-N
Compound name
5-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

603
References

19335
Patents

253.01889 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.02617 150.0
[M+Na]+ 276.00811 162.5
[M-H]- 252.01161 152.7
[M+NH4]+ 271.05271 167.4
[M+K]+ 291.98205 156.5
[M+H-H2O]+ 236.01615 142.6
[M+HCOO]- 298.01709 162.4
[M+CH3COO]- 312.03274 162.4
[M+Na-2H]- 273.99356 153.0
[M]+ 253.01834 152.6
[M]- 253.01944 152.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.