CID 15763

Ethiazide

Structural Information

Molecular Formula
C9H12ClN3O4S2
SMILES
CCC1NC2=CC(=C(C=C2S(=O)(=O)N1)S(=O)(=O)N)Cl
InChI
InChI=1S/C9H12ClN3O4S2/c1-2-9-12-6-3-5(10)7(18(11,14)15)4-8(6)19(16,17)13-9/h3-4,9,12-13H,2H2,1H3,(H2,11,14,15)
InChIKey
VXLCNTLWWUDBSO-UHFFFAOYSA-N
Compound name
6-chloro-3-ethyl-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

5026
Patents

324.9958 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.00308 166.5
[M+Na]+ 347.98502 175.9
[M+NH4]+ 343.02962 173.1
[M+K]+ 363.95896 166.9
[M-H]- 323.98852 164.7
[M+Na-2H]- 345.97047 169.4
[M]+ 324.99525 168.3
[M]- 324.99635 168.3
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

patents stripe