Ro 48-8071

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Systematic / IUPAC Name: [4-({6-[Allyl(methyl)amino]hexyl}oxy)-2-fluorophenyl](4-bromophenyl)methanone

ID: Reference5859

Other Names: (4-Bromophenyl)[2-fluoro-4-({6-[methyl(prop-2-en-1-yl)amino]hexyl}oxy)phenyl]methanone;
(4-Bromophenyl)-{2-fluoro-4-[6-(methyl-prop-2-enylamino)hexoxy]phenyl}methanone ;
Methanone, (4-bromophenyl)(2-fluoro-4-{[6-(methyl-2-propenylamino)hexyl]oxy}phenyl)-

Formula: C23H27BrFNO2

Spectral Data

Ro 48-8071 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 Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 119
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 10/31/2016 8:11:25 AM
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Identificators

InChI InChI=1S/C23H27BrFNO2/c1-3-14-26(2)15-6-4-5-7-16-28-20-12-13-21(22(25)17-20)23(27)18-8-10-19(24)11-9-18/h3,8-13,17H,1,4-7,14-16H2,2H3
InChI Key CMYCCJYVZIMDFU-UHFFFAOYSA-N
Canonical SMILES CN(CCCCCCOC1=CC(=C(C=C1)C(=O)C2=CC=C(C=C2)Br)F)CC=C
CAS 161582112
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Other Names (4-Bromophenyl)[2-fluoro-4-({6-[methyl(prop-2-en-1-yl)amino]hexyl}oxy)phenyl]methanone;
(4-Bromophenyl)-{2-fluoro-4-[6-(methyl-prop-2-enylamino)hexoxy]phenyl}methanone ;
Methanone, (4-bromophenyl)(2-fluoro-4-{[6-(methyl-2-propenylamino)hexyl]oxy}phenyl)-

In Other Databases

PubChem 1949
ChEBI CHEBI:101064
ChemIDPlus 161582112; 189197691
ChEMBL CHEMBL304858
ChemSpider 1873
DrugBank DB02016