(1R,9S)-11-{[5-(Hydroxymethyl)-2-furyl]methyl}-3-[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]-3-(4-methylsulfanylphenyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

ID: Reference10164

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]-11-[4-(methylthio)phenyl]-, (1R,5S)-;
NAT11-289932

Formula: C24H26N2O3S

Spectral Data

(1R,9S)-11-{[5-(Hydroxymethyl)-2-furyl]methyl}-3-[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 1570
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 1/7/2021 1:09:08 PM
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Identificators

InChI InChI=1S/C24H26N2O3S/c1-30-21-6-2-17(3-7-21)22-8-9-23(28)26-12-16-10-18(24(22)26)13-25(11-16)14-19-4-5-20(15-27)29-19/h2-9,16,18,27H,10-15H2,1H3/t16-,18+/m0/s1
InChI Key RPIWSYKIWATWMS-FUHWJXTLSA-N
Canonical SMILES CSC1=CC=C(C=C1)C2=C3C4CC(CN(C4)CC5=CC=C(O5)CO)CN3C(=O)C=C2
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]-11-[4-(methylthio)phenyl]-, (1R,5S)-;
NAT11-289932

In Other Databases

PubChem 7155405
ChemSpider 5495582