N-{4-[(1R,9S)-11-(Cyclohexylcarbonyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]phenyl}acetamide

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Systematic / IUPAC Name: N-{4-[(1R,9S)-11-(Cyclohexylcarbonyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]phenyl}acetamide

ID: Reference9115

Other Names: Acetamide, N-[4-[(1R,5S)-3-(cyclohexylcarbonyl)-1,3,4,5,6,8-hexahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-9-yl]phenyl]-;
NAT11-285723

Formula: C26H31N3O3

Spectral Data

N-{4-[(1R,9S)-11-(Cyclohexylcarbonyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]phenyl}acetamide 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 FAIMS
No. of Spectral Trees 2
No. of Spectra 2239
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 4/2/2024 1:31:14 PM
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Identificators

InChI InChI=1S/C26H31N3O3/c1-17(30)27-22-9-7-19(8-10-22)23-11-12-24-21-13-18(15-29(24)26(23)32)14-28(16-21)25(31)20-5-3-2-4-6-20/h7-12,18,20-21H,2-6,13-16H2,1H3,(H,27,30)/t18-,21+/m0/s1
InChI Key KCKAMIAOAQXUSF-GHTZIAJQSA-N
Canonical SMILES CC(=O)NC1=CC=C(C=C1)C2=CC=C3C4CC(CN(C4)C(=O)C5CCCCC5)CN3C2=O
CAS
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Other Names Acetamide, N-[4-[(1R,5S)-3-(cyclohexylcarbonyl)-1,3,4,5,6,8-hexahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-9-yl]phenyl]-;
NAT11-285723

In Other Databases

PubChem 40586329
ChemSpider 21380137