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

3
Annotation Hits: 0
References: 1836
Patents: 412.86322 Da
Monoisotopic Mass: 0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	413.870496	170.6
[M+Na]+	435.852438	179.2
[M-H]-	411.855944	167.8
[M+NH4]+	430.897043	181.6
[M+K]+	451.826378	173.0
[M+H-H2O]+	395.860480	170.5
[M+HCOO]-	457.861421	156.4
[M+CH3COO]-	471.877071	208.5
[M+Na-2H]-	433.837886	174.1
[M]+	412.86267142	170.1
[M]-	412.86376858	170.1

Literature stripe

literature stripe

Patent stripe

patents stripe