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

5
Patents

324.9958 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.003076 161.4
[M+Na]+ 347.985018 171.7
[M-H]- 323.988524 161.8
[M+NH4]+ 343.029623 176.5
[M+K]+ 363.958958 165.3
[M+H-H2O]+ 307.993060 157.5
[M+HCOO]- 369.994001 164.3
[M+CH3COO]- 384.009651 199.6
[M+Na-2H]- 345.970466 166.9
[M]+ 324.99525142 164.9
[M]- 324.99634858 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