CID 71656

Teclothiazide

Structural Information

Molecular Formula
C8H7Cl4N3O4S2
SMILES
C1=C2C(=CC(=C1Cl)S(=O)(=O)N)S(=O)(=O)NC(N2)C(Cl)(Cl)Cl
InChI
InChI=1S/C8H7Cl4N3O4S2/c9-3-1-4-6(2-5(3)20(13,16)17)21(18,19)15-7(14-4)8(10,11)12/h1-2,7,14-15H,(H2,13,16,17)
InChIKey
GUTZRTRUIMWMJZ-UHFFFAOYSA-N
Compound name
6-chloro-1,1-dioxo-3-(trichloromethyl)-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1761
Patents

412.86322 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.87050 170.6
[M+Na]+ 435.85244 179.2
[M-H]- 411.85594 167.8
[M+NH4]+ 430.89704 181.6
[M+K]+ 451.82638 173.0
[M+H-H2O]+ 395.86048 170.5
[M+HCOO]- 457.86142 156.4
[M+CH3COO]- 471.87707 208.5
[M+Na-2H]- 433.83789 174.1
[M]+ 412.86267 170.1
[M]- 412.86377 170.1
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