(1R,9S)-5-[4-(Methylsulfanyl)phenyl]-11-(tetrahydro-2H-pyran-4-yl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

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Systematic / IUPAC Name: (1R,9S)-5-(4-Methylsulfanylphenyl)-11-(oxan-4-yl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

ID: Reference10033

Other Names: 1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 1,2,3,4,5,6-hexahydro-9-[4-(methylthio)phenyl]-3-(tetrahydro-2H-pyran-4-yl)-, (1R,5S)-;
NAT11-286930

Formula: C23H28N2O2S

Spectral Data

(1R,9S)-5-[4-(Methylsulfanyl)phenyl]-11-(tetrahydro-2H-pyran-4-yl)-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 2055
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 11/6/2020 1:23:17 PM
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Identificators

InChI InChI=1S/C23H28N2O2S/c1-28-20-4-2-17(3-5-20)21-6-7-22-18-12-16(14-25(22)23(21)26)13-24(15-18)19-8-10-27-11-9-19/h2-7,16,18-19H,8-15H2,1H3/t16-,18+/m0/s1
InChI Key NLOJVURPBHZBSN-FUHWJXTLSA-N
Canonical SMILES CSC1=CC=C(C=C1)C2=CC=C3C4CC(CN(C4)C5CCOCC5)CN3C2=O
CAS
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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-9-[4-(methylthio)phenyl]-3-(tetrahydro-2H-pyran-4-yl)-, (1R,5S)-;
NAT11-286930

In Other Databases

ChemSpider 10059663
PubChem 11885335