CID 67760

Mebetide

Structural Information

Molecular Formula

C₈H₈N₂O₂S

SMILES

CC1=NS(=O)(=O)C2=CC=CC=C2N1

InChI

InChI=1S/C8H8N2O2S/c1-6-9-7-4-2-3-5-8(7)13(11,12)10-6/h2-5H,1H3,(H,9,10)

InChIKey

FDWRKMPNEIXNOE-UHFFFAOYSA-N

Compound name

3-methyl-4H-1lambda6,2,4-benzothiadiazine 1,1-dioxide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 90
Patents: 196.03065 Da
Monoisotopic Mass: 0.3
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]+	197.03793	138.1
[M+Na]+	219.01987	151.8
[M+NH4]+	214.06447	147.8
[M+K]+	234.99381	141.8
[M-H]-	195.02337	139.1
[M+Na-2H]-	217.00532	145.4
[M]+	196.03010	140.9
[M]-	196.03120	140.9

Literature stripe

literature stripe

Patent stripe

patents stripe