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

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

ID: Reference9574

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-[4-(trifluoromethoxy)phenyl]-, (1R,5S)-;
NAT11-288278

Formula: C21H21F3N2O3S

Spectral Data

(1R,9S)-11-[(Methylsulfanyl)acetyl]-3-[4-(trifluoromethoxy)phenyl]-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.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 1
No. of Spectra 2320
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 4/15/2020 6:24:50 AM
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Identificators

InChI InChI=1S/C21H21F3N2O3S/c1-30-12-19(28)25-9-13-8-15(11-25)20-17(6-7-18(27)26(20)10-13)14-2-4-16(5-3-14)29-21(22,23)24/h2-7,13,15H,8-12H2,1H3/t13-,15+/m0/s1
InChI Key WWCFJELCVIXKGT-DZGCQCFKSA-N
Canonical SMILES CSCC(=O)N1CC2CC(C1)C3=C(C=CC(=O)N3C2)C4=CC=C(C=C4)OC(F)(F)F
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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-[4-(trifluoromethoxy)phenyl]-, (1R,5S)-;
NAT11-288278

In Other Databases

ChemSpider 5484928
PubChem 7144189