(1R,9S)-11-[(Methylsulfanyl)acetyl]-3-(2-thienyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

enlarge

Systematic / IUPAC Name: (1R,9S)-11-(2-Methylsulfanylacetyl)-3-thiophen-2-yl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

ID: Reference8871

Other Names: 1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 1,2,3,4,5,6-hexahydro-3-[2-(methylthio)acetyl]-11-(2-thienyl)-, (1R,5S)-;
NAT11-287738

Formula: C18H20N2O2S2

Spectral Data

(1R,9S)-11-[(Methylsulfanyl)acetyl]-3-(2-thienyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one 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 Orbitrap Fusion Lumos with ETD LBP FAIMS
No. of Spectral Trees 1
No. of Spectra 889
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 8/22/2019 7:52:43 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C18H20N2O2S2/c1-23-11-17(22)19-8-12-7-13(10-19)18-14(15-3-2-6-24-15)4-5-16(21)20(18)9-12/h2-6,12-13H,7-11H2,1H3/t12-,13+/m0/s1
InChI Key FZKBPAWEPLRVKP-QWHCGFSZSA-N
Canonical SMILES CSCC(=O)N1CC2CC(C1)C3=C(C=CC(=O)N3C2)C4=CC=CS4
CAS
Splash
Other Names 1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 1,2,3,4,5,6-hexahydro-3-[2-(methylthio)acetyl]-11-(2-thienyl)-, (1R,5S)-;
NAT11-287738

In Other Databases

ChemSpider 5997631
PubChem 7685242