CID 135565395

4-hydroxytizanidine

Structural Information

Molecular Formula
C9H8ClN5OS
SMILES
C1CN=C(N1)NC2=C(C=C(C3=NSN=C23)O)Cl
InChI
InChI=1S/C9H8ClN5OS/c10-4-3-5(16)7-8(15-17-14-7)6(4)13-9-11-1-2-12-9/h3,16H,1-2H2,(H2,11,12,13)
InChIKey
COUBTDJHGNWOFR-UHFFFAOYSA-N
Compound name
5-chloro-4-(4,5-dihydro-1H-imidazol-2-ylamino)-2,1,3-benzothiadiazol-7-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.0138 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.02108 153.3
[M+Na]+ 292.00302 165.9
[M-H]- 268.00652 155.2
[M+NH4]+ 287.04762 169.6
[M+K]+ 307.97696 159.6
[M+H-H2O]+ 252.01106 146.7
[M+HCOO]- 314.01200 164.5
[M+CH3COO]- 328.02765 165.2
[M+Na-2H]- 289.98847 155.6
[M]+ 269.01325 156.0
[M]- 269.01435 156.0
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

No patent data available for this compound.