CID 16074420

Chembl220302

Structural Information

Molecular Formula
C11H10Cl2N2O2S2
SMILES
CC1=CC2=C(C=C1Cl)SC3=NC(CN3S2(=O)=O)CCl
InChI
InChI=1S/C11H10Cl2N2O2S2/c1-6-2-10-9(3-8(6)13)18-11-14-7(4-12)5-15(11)19(10,16)17/h2-3,7H,4-5H2,1H3
InChIKey
RXIWKFPXAFXIQL-UHFFFAOYSA-N
Compound name
8-chloro-2-(chloromethyl)-7-methyl-2,3-dihydroimidazo[1,2-b][1,4,2]benzodithiazine 5,5-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

335.9561 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.96338 163.6
[M+Na]+ 358.94532 177.2
[M-H]- 334.94882 166.7
[M+NH4]+ 353.98992 183.5
[M+K]+ 374.91926 170.8
[M+H-H2O]+ 318.95336 160.8
[M+HCOO]- 380.95430 163.5
[M+CH3COO]- 394.96995 175.3
[M+Na-2H]- 356.93077 165.3
[M]+ 335.95555 170.8
[M]- 335.95665 170.8
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

No patent data available for this compound.