1-[(1R,9S)-11-Acetyl-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-3-phenylurea

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

ID: Reference8854

Other Names: Urea, N-[(1R,5S)-3-acetyl-1,3,4,5,6,8-hexahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-9-yl]-N'-phenyl-;
NAT11-291975

Formula: C20H22N4O3

Spectral Data

1-[(1R,9S)-11-Acetyl-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-3-phenylurea 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 1
No. of Spectra 2452
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6, MS7, MS8
Ionization Methods NSI
Analyzers FT
Last Modification 4/2/2024 8:13:41 AM
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Identificators

InChI InChI=1S/C20H22N4O3/c1-13(25)23-10-14-9-15(12-23)18-8-7-17(19(26)24(18)11-14)22-20(27)21-16-5-3-2-4-6-16/h2-8,14-15H,9-12H2,1H3,(H2,21,22,27)/t14-,15+/m0/s1
InChI Key JQNHYJIRYHWBAO-LSDHHAIUSA-N
Canonical SMILES CC(=O)N1CC2CC(C1)C3=CC=C(C(=O)N3C2)NC(=O)NC4=CC=CC=C4
CAS
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Other Names Urea, N-[(1R,5S)-3-acetyl-1,3,4,5,6,8-hexahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-9-yl]-N'-phenyl-;
NAT11-291975

In Other Databases

ChemSpider 21380211
PubChem 40587795