(1R,9S)-11-{[5-(Hydroxymethyl)-2-furyl]methyl}-5-[4-(methylsulfanyl)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-[[5-(Hydroxymethyl)furan-2-yl]methyl]-5-(4-methylsulfanylphenyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

ID: Reference9724

Other Names: 1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 1,2,3,4,5,6-hexahydro-3-[[5-(hydroxymethyl)-2-furanyl]methyl]-9-[4-(methylthio)phenyl]-, (1R,5S)-;
NAT11-286929

Formula: C24H26N2O3S

Spectral Data

(1R,9S)-11-{[5-(Hydroxymethyl)-2-furyl]methyl}-5-[4-(methylsulfanyl)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 155
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 5/29/2020 9:49:30 AM
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Identificators

InChI InChI=1S/C24H26N2O3S/c1-30-21-6-2-17(3-7-21)22-8-9-23-18-10-16(12-26(23)24(22)28)11-25(13-18)14-19-4-5-20(15-27)29-19/h2-9,16,18,27H,10-15H2,1H3/t16-,18+/m0/s1
InChI Key NWEQZCQCMXJXFM-FUHWJXTLSA-N
Canonical SMILES CSC1=CC=C(C=C1)C2=CC=C3C4CC(CN(C4)CC5=CC=C(O5)CO)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-3-[[5-(hydroxymethyl)-2-furanyl]methyl]-9-[4-(methylthio)phenyl]-, (1R,5S)-;
NAT11-286929

In Other Databases

ChemSpider 10059661
PubChem 11885333