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

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Systematic / IUPAC Name: 3-[(1R,9S)-11-[[5-(Hydroxymethyl)furan-2-yl]methyl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]benzonitrile

ID: Reference10054

Other Names: Benzonitrile, 3-[(1R,5S)-1,3,4,5,6,8-hexahydro-3-[[5-(hydroxymethyl)-2-furanyl]methyl]-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-9-yl]-;
NAT11-287217

Formula: C24H23N3O3

Spectral Data

3-[(1R,9S)-11-{[5-(Hydroxymethyl)-2-furyl]methyl}-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]benzonitrile 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 2262
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6, MS7
Ionization Methods NSI
Analyzers FT
Last Modification 11/13/2020 11:20:21 AM
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Identificators

InChI InChI=1S/C24H23N3O3/c25-10-16-2-1-3-18(8-16)22-6-7-23-19-9-17(12-27(23)24(22)29)11-26(13-19)14-20-4-5-21(15-28)30-20/h1-8,17,19,28H,9,11-15H2/t17-,19+/m0/s1
InChI Key BQSXSJOMIHEFEA-PKOBYXMFSA-N
Canonical SMILES C1C2CN(CC1C3=CC=C(C(=O)N3C2)C4=CC=CC(=C4)C#N)CC5=CC=C(O5)CO
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Other Names Benzonitrile, 3-[(1R,5S)-1,3,4,5,6,8-hexahydro-3-[[5-(hydroxymethyl)-2-furanyl]methyl]-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-9-yl]-;
NAT11-287217

In Other Databases

ChemSpider 10086494
PubChem 11912171