CID 216576

37458-91-6

Structural Information

Molecular Formula
C9H12ClN3O4S2
SMILES
CNS(=O)(=O)C1=C(C=C2C(=C1)S(=O)(=O)N(CN2)C)Cl
InChI
InChI=1S/C9H12ClN3O4S2/c1-11-18(14,15)8-4-9-7(3-6(8)10)12-5-13(2)19(9,16)17/h3-4,11-12H,5H2,1-2H3
InChIKey
FUAKMBYJVPEFMH-UHFFFAOYSA-N
Compound name
6-chloro-N,2-dimethyl-1,1-dioxo-3,4-dihydro-1lambda6,2,4-benzothiadiazine-7-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

324.9958 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.00308 167.2
[M+Na]+ 347.98502 177.5
[M+NH4]+ 343.02962 174.3
[M+K]+ 363.95896 167.9
[M-H]- 323.98852 166.1
[M+Na-2H]- 345.97047 171.0
[M]+ 324.99525 169.4
[M]- 324.99635 169.4
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

patents stripe