(1R,9S)-11-(2-Hydroxybenzyl)-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-[(2-Hydroxyphenyl)methyl]-5-(4-methylsulfanylphenyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

ID: Reference9731

Other Names: 1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 1,2,3,4,5,6-hexahydro-3-[(2-hydroxyphenyl)methyl]-9-[4-(methylthio)phenyl]-, (1R,5S)-;
NAT11-286927

Formula: C25H26N2O2S

Spectral Data

(1R,9S)-11-(2-Hydroxybenzyl)-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 1184
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 5/29/2020 9:57:50 AM
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Identificators

InChI InChI=1S/C25H26N2O2S/c1-30-21-8-6-18(7-9-21)22-10-11-23-20-12-17(14-27(23)25(22)29)13-26(16-20)15-19-4-2-3-5-24(19)28/h2-11,17,20,28H,12-16H2,1H3/t17-,20+/m0/s1
InChI Key CWHNLIQWXKMTKB-FXAWDEMLSA-N
Canonical SMILES CSC1=CC=C(C=C1)C2=CC=C3C4CC(CN(C4)CC5=CC=CC=C5O)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-[(2-hydroxyphenyl)methyl]-9-[4-(methylthio)phenyl]-, (1R,5S)-;
NAT11-286927

In Other Databases

ChemSpider 10059659
PubChem 11885331