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 161.4
[M+Na]+ 347.98502 171.7
[M-H]- 323.98852 161.8
[M+NH4]+ 343.02962 176.5
[M+K]+ 363.95896 165.3
[M+H-H2O]+ 307.99306 157.5
[M+HCOO]- 369.99400 164.3
[M+CH3COO]- 384.00965 199.6
[M+Na-2H]- 345.97047 166.9
[M]+ 324.99525 164.9
[M]- 324.99635 164.9
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