CID 24983689

402824-96-8

Structural Information

Molecular Formula
C15H16Cl2N6O8S4
SMILES
C1NC2=CC(=C(C=C2S(=O)(=O)N1)S(=O)(=O)NCN3CNS(=O)(=O)C4=CC(=C(C=C43)Cl)S(=O)(=O)N)Cl
InChI
InChI=1S/C15H16Cl2N6O8S4/c16-8-1-10-14(34(28,29)20-5-19-10)4-13(8)33(26,27)21-6-23-7-22-35(30,31)15-3-12(32(18,24)25)9(17)2-11(15)23/h1-4,19-22H,5-7H2,(H2,18,24,25)
InChIKey
ARZJHXODDVTRLY-UHFFFAOYSA-N
Compound name
6-chloro-4-[[(6-chloro-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazin-7-yl)sulfonylamino]methyl]-1,1-dioxo-2,3-dihydro-1lambda6,2,4-benzothiadiazine-7-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

605.92896 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 606.93624 205.0
[M+Na]+ 628.91818 209.8
[M-H]- 604.92168 199.1
[M+NH4]+ 623.96278 206.0
[M+K]+ 644.89212 201.0
[M+H-H2O]+ 588.92622 205.2
[M+HCOO]- 650.92716 186.6
[M+CH3COO]- 664.94281 241.8
[M+Na-2H]- 626.90363 221.2
[M]+ 605.92841 203.6
[M]- 605.92951 203.6
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