(1R,9S)-5-(4-Methoxyphenyl)-11-(2-thienylcarbonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

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Systematic / IUPAC Name: (1R,9S)-5-(4-Methoxyphenyl)-11-(thiophene-2-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

ID: Reference9927

Other Names: 1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 1,2,3,4,5,6-hexahydro-9-(4-methoxyphenyl)-3-(2-thienylcarbonyl)-, (1R,5S)-;
NAT11-283680

Formula: C23H22N2O3S

Spectral Data

(1R,9S)-5-(4-Methoxyphenyl)-11-(2-thienylcarbonyl)-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 1871
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6, MS7
Ionization Methods NSI
Analyzers FT
Last Modification 9/10/2020 8:35:43 AM
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Identificators

InChI InChI=1S/C23H22N2O3S/c1-28-18-6-4-16(5-7-18)19-8-9-20-17-11-15(13-25(20)22(19)26)12-24(14-17)23(27)21-3-2-10-29-21/h2-10,15,17H,11-14H2,1H3/t15-,17+/m0/s1
InChI Key HYWDUSPCPMBAJI-DOTOQJQBSA-N
Canonical SMILES COC1=CC=C(C=C1)C2=CC=C3C4CC(CN(C4)C(=O)C5=CC=CS5)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-9-(4-methoxyphenyl)-3-(2-thienylcarbonyl)-, (1R,5S)-;
NAT11-283680

In Other Databases

ChemSpider 10059445
PubChem 11885117