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
4
Annotation Hits

12
References

5435
Patents

324.9958 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.003076 161.6
[M+Na]+ 347.985018 171.4
[M-H]- 323.988524 160.1
[M+NH4]+ 343.029623 175.8
[M+K]+ 363.958958 163.9
[M+H-H2O]+ 307.993060 158.2
[M+HCOO]- 369.994001 162.5
[M+CH3COO]- 384.009651 197.0
[M+Na-2H]- 345.970466 165.9
[M]+ 324.99525142 162.4
[M]- 324.99634858 162.4
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