CID 16074419

Chembl218814

Structural Information

Molecular Formula
C10H9ClN2O2S2
SMILES
CC1=CC2=C(C=C1Cl)SC3=NCCN3S2(=O)=O
InChI
InChI=1S/C10H9ClN2O2S2/c1-6-4-9-8(5-7(6)11)16-10-12-2-3-13(10)17(9,14)15/h4-5H,2-3H2,1H3
InChIKey
NDPVYJGWOJIFQY-UHFFFAOYSA-N
Compound name
8-chloro-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

287.9794 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.98668 154.3
[M+Na]+ 310.96862 167.8
[M-H]- 286.97212 157.7
[M+NH4]+ 306.01322 175.5
[M+K]+ 326.94256 162.0
[M+H-H2O]+ 270.97666 150.7
[M+HCOO]- 332.97760 159.4
[M+CH3COO]- 346.99325 166.9
[M+Na-2H]- 308.95407 157.6
[M]+ 287.97885 160.2
[M]- 287.97995 160.2
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.