CID 3019

Diazoxide

Structural Information

Molecular Formula

C₈H₇ClN₂O₂S

SMILES

CC1=NS(=O)(=O)C2=C(N1)C=CC(=C2)Cl

InChI

InChI=1S/C8H7ClN2O2S/c1-5-10-7-3-2-6(9)4-8(7)14(12,13)11-5/h2-4H,1H3,(H,10,11)

InChIKey

GDLBFKVLRPITMI-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 3588
References: 15376
Patents: 229.99167 Da
Monoisotopic Mass: 1.2
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]+	230.998946	139.6
[M+Na]+	252.980888	152.3
[M-H]-	228.984394	141.2
[M+NH4]+	248.025493	159.4
[M+K]+	268.954828	146.7
[M+H-H2O]+	212.988930	134.9
[M+HCOO]-	274.989871	150.0
[M+CH3COO]-	289.005521	152.8
[M+Na-2H]-	250.966336	146.1
[M]+	229.99112142	142.9
[M]-	229.99221858	142.9

Literature stripe

literature stripe

Patent stripe

patents stripe