2-({[4-Butoxy-2-(trifluoromethyl)-6-quinolyl]methyl}thio)-1,3-benzothiazole

enlarge

Systematic / IUPAC Name: 6-[(1,3-Benzothiazol-2-ylsulfanyl)methyl]-4-butoxy-2-(trifluoromethyl)quinoline

ID: Reference4103

Other Names: Quinoline, 6-[(2-benzothiazolylthio)methyl]-4-butoxy-2-(trifluoromethyl)-

Formula: C22H19F3N2OS2

Spectral Data

2-({[4-Butoxy-2-(trifluoromethyl)-6-quinolyl]methyl}thio)-1,3-benzothiazole mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 117
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/8/2016 1:03:11 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C22H19F3N2OS2/c1-2-3-10-28-18-12-20(22(23,24)25)26-16-9-8-14(11-15(16)18)13-29-21-27-17-6-4-5-7-19(17)30-21/h4-9,11-12H,2-3,10,13H2,1H3
InChI Key NOTMZAIXVIGWDK-UHFFFAOYSA-N
Canonical SMILES CCCCOC1=CC(=NC2=C1C=C(C=C2)CSC3=NC4=CC=CC=C4S3)C(F)(F)F
CAS
Splash
Other Names Quinoline, 6-[(2-benzothiazolylthio)methyl]-4-butoxy-2-(trifluoromethyl)-

In Other Databases

PubChem 2821894
ChemSpider 2100115