CID 91587

Probenazole

Structural Information

Molecular Formula

C₁₀H₉NO₃S

SMILES

C=CCOC1=NS(=O)(=O)C2=CC=CC=C21

InChI

InChI=1S/C10H9NO3S/c1-2-7-14-10-8-5-3-4-6-9(8)15(12,13)11-10/h2-6H,1,7H2

InChIKey

WHHIPMZEDGBUCC-UHFFFAOYSA-N

Compound name

3-prop-2-enoxy-1,2-benzothiazole 1,1-dioxide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 38
References: 36401
Patents: 223.03032 Da
Monoisotopic Mass: 1.4
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]+	224.03760	146.8
[M+Na]+	246.01954	159.3
[M+NH4]+	241.06414	156.2
[M+K]+	261.99348	150.7
[M-H]-	222.02304	147.5
[M+Na-2H]-	244.00499	153.0
[M]+	223.02977	149.3
[M]-	223.03087	149.3

Literature stripe

literature stripe

Patent stripe

patents stripe