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

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

ID: Reference10016

Other Names: Urea, N-[(1R,5S)-3-(4-fluorobenzoyl)-1,3,4,5,6,8-hexahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-9-yl]-N'-(2-methoxyphenyl)-;
NAT11-291930

Formula: C26H25FN4O4

Spectral Data

1-[(1R,9S)-11-(4-Fluorobenzoyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-3-(2-methoxyphenyl)urea 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 2
No. of Spectra 4383
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 10/29/2020 3:36:54 PM
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Identificators

InChI InChI=1S/C26H25FN4O4/c1-35-23-5-3-2-4-20(23)28-26(34)29-21-10-11-22-18-12-16(14-31(22)25(21)33)13-30(15-18)24(32)17-6-8-19(27)9-7-17/h2-11,16,18H,12-15H2,1H3,(H2,28,29,34)/t16-,18+/m0/s1
InChI Key VFJASLQSNIIJPI-FUHWJXTLSA-N
Canonical SMILES COC1=CC=CC=C1NC(=O)NC2=CC=C3C4CC(CN(C4)C(=O)C5=CC=C(C=C5)F)CN3C2=O
CAS
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Other Names Urea, N-[(1R,5S)-3-(4-fluorobenzoyl)-1,3,4,5,6,8-hexahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-9-yl]-N'-(2-methoxyphenyl)-;
NAT11-291930

In Other Databases

ChemSpider 10060210
PubChem 11885887