PD 0343701

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Systematic / IUPAC Name: 6-{2-[4-(1,2-Benzothiazol-3-yl)-1-piperazinyl]ethyl}-4,4,8-trimethyl-3,4-dihydro-2(1H)-quinolinone

ID: Reference2811

Other Names: 2(1H)-Quinolinone, 6-{2-[4-(1,2-benzisothiazol-3-yl)-1-piperazinyl]ethyl}-3,4-dihydro-4,4,8-trimethyl- ;
6-{2-[4-(1,2-Benzothiazol-3-yl)piperazin-1-yl]ethyl}-4,4,8-trimethyl-1,3-dihydroquinolin-2-one

Formula: C25H30N4OS

Spectral Data

PD 0343701 mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 118
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 6/16/2015 1:23:18 PM
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Identificators

InChI InChI=1S/C25H30N4OS/c1-17-14-18(15-20-23(17)26-22(30)16-25(20,2)3)8-9-28-10-12-29(13-11-28)24-19-6-4-5-7-21(19)31-27-24/h4-7,14-15H,8-13,16H2,1-3H3,(H,26,30)
InChI Key SRAQFALNAGNAQE-UHFFFAOYSA-N
Canonical SMILES CC1=C2C(=CC(=C1)CCN3CCN(CC3)C4=NSC5=CC=CC=C54)C(CC(=O)N2)(C)C
CAS 676116044
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Other Names 2(1H)-Quinolinone, 6-{2-[4-(1,2-benzisothiazol-3-yl)-1-piperazinyl]ethyl}-3,4-dihydro-4,4,8-trimethyl- ;
6-{2-[4-(1,2-Benzothiazol-3-yl)piperazin-1-yl]ethyl}-4,4,8-trimethyl-1,3-dihydroquinolin-2-one

In Other Databases

ChemSpider 8160078
ChEMBL CHEMBL3302785
PubChem 9984488