CID 201230

Imidazo(2,1-b)benzothiazole, 5,6,7,8-tetrahydro-2-(p-methylsulfonylphenyl)-, hydrochloride

Structural Information

Molecular Formula
C16H16N2O2S2
SMILES
CS(=O)(=O)C1=CC=C(C=C1)C2=CN3C4=C(CCCC4)SC3=N2
InChI
InChI=1S/C16H16N2O2S2/c1-22(19,20)12-8-6-11(7-9-12)13-10-18-14-4-2-3-5-15(14)21-16(18)17-13/h6-10H,2-5H2,1H3
InChIKey
PKGGTQUWAVPYDE-UHFFFAOYSA-N
Compound name
2-(4-methylsulfonylphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.0653 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.07258 176.7
[M+Na]+ 355.05452 189.0
[M-H]- 331.05802 183.8
[M+NH4]+ 350.09912 195.2
[M+K]+ 371.02846 183.5
[M+H-H2O]+ 315.06256 172.1
[M+HCOO]- 377.06350 187.4
[M+CH3COO]- 391.07915 188.6
[M+Na-2H]- 353.03997 177.8
[M]+ 332.06475 182.0
[M]- 332.06585 182.0
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.