CID 13843044

Chembl219465

Structural Information

Molecular Formula
C11H11ClN2O2S2
SMILES
CC1CN=C2N1S(=O)(=O)C3=C(S2)C=C(C(=C3)C)Cl
InChI
InChI=1S/C11H11ClN2O2S2/c1-6-3-10-9(4-8(6)12)17-11-13-5-7(2)14(11)18(10,15)16/h3-4,7H,5H2,1-2H3
InChIKey
CXGMPEMCLSUGHD-UHFFFAOYSA-N
Compound name
8-chloro-3,7-dimethyl-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

301.99506 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.00234 158.2
[M+Na]+ 324.98428 171.9
[M-H]- 300.98778 161.8
[M+NH4]+ 320.02888 179.1
[M+K]+ 340.95822 166.0
[M+H-H2O]+ 284.99232 154.7
[M+HCOO]- 346.99326 162.9
[M+CH3COO]- 361.00891 170.7
[M+Na-2H]- 322.96973 160.5
[M]+ 301.99451 164.8
[M]- 301.99561 164.8
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.