CID 17416066

5-chloro-2-{[1,2,3,4]tetrazolo[1,5-b]pyridazin-6-ylsulfanyl}-1,3-benzothiazole

Structural Information

Molecular Formula
C11H5ClN6S2
SMILES
C1=CC2=C(C=C1Cl)N=C(S2)SC3=NN4C(=NN=N4)C=C3
InChI
InChI=1S/C11H5ClN6S2/c12-6-1-2-8-7(5-6)13-11(19-8)20-10-4-3-9-14-16-17-18(9)15-10/h1-5H
InChIKey
SEDPAPGXAQOKGA-UHFFFAOYSA-N
Compound name
5-chloro-2-(tetrazolo[1,5-b]pyridazin-6-ylsulfanyl)-1,3-benzothiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.97055 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.97783 162.0
[M+Na]+ 342.95977 180.3
[M-H]- 318.96327 165.8
[M+NH4]+ 338.00437 177.1
[M+K]+ 358.93371 173.0
[M+H-H2O]+ 302.96781 155.9
[M+HCOO]- 364.96875 169.8
[M+CH3COO]- 378.98440 174.8
[M+Na-2H]- 340.94522 165.0
[M]+ 319.97000 171.9
[M]- 319.97110 171.9
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.