(1R,9S)-5-[2-(4-Morpholinylmethyl)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-[2-(Morpholin-4-ylmethyl)phenyl]-11-(oxan-4-yl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

ID: Reference10074

Other Names: 1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 1,2,3,4,5,6-hexahydro-9-[2-(4-morpholinylmethyl)phenyl]-3-(tetrahydro-2H-pyran-4-yl)-, (1R,5S)-;
NAT11-295817

Formula: C27H35N3O3

Spectral Data

(1R,9S)-5-[2-(4-Morpholinylmethyl)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 478
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 11/19/2020 10:21:35 AM
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Identificators

InChI InChI=1S/C27H35N3O3/c31-27-25(24-4-2-1-3-21(24)18-28-9-13-33-14-10-28)5-6-26-22-15-20(17-30(26)27)16-29(19-22)23-7-11-32-12-8-23/h1-6,20,22-23H,7-19H2/t20-,22+/m0/s1
InChI Key WBBVXZADUWQBTA-RBBKRZOGSA-N
Canonical SMILES C1COCCC1N2CC3CC(C2)C4=CC=C(C(=O)N4C3)C5=CC=CC=C5CN6CCOCC6
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-[2-(4-morpholinylmethyl)phenyl]-3-(tetrahydro-2H-pyran-4-yl)-, (1R,5S)-;
NAT11-295817

In Other Databases

ChemSpider 10115686
PubChem 11941367