FR 145237

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Systematic / IUPAC Name: 1-Benzyl-1-{[3-(4-chlorophenyl)-5-methyl-1-benzofuran-2-yl]methyl}-3-(2,4,6-trifluorophenyl)urea

ID: Reference3013

Other Names: Urea, N-{[3-(4-chlorophenyl)-5-methyl-2-benzofuranyl]methyl}-N-(phenylmethyl)-N'-(2,4,6-trifluorophenyl)-

Formula: C30H22ClF3N2O2

Spectral Data

FR 145237 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 2
No. of Spectra 182
Tandem Spectra MS1, MS2
Ionization Methods ESI; APCI
Analyzers FT
Last Modification 9/11/2015 7:13:26 AM
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Identificators

InChI InChI=1S/C30H22ClF3N2O2/c1-18-7-12-26-23(13-18)28(20-8-10-21(31)11-9-20)27(38-26)17-36(16-19-5-3-2-4-6-19)30(37)35-29-24(33)14-22(32)15-25(29)34/h2-15H,16-17H2,1H3,(H,35,37)
InChI Key GJRPAGNTTAPJCC-UHFFFAOYSA-N
Canonical SMILES CC1=CC2=C(C=C1)OC(=C2C3=CC=C(C=C3)Cl)CN(CC4=CC=CC=C4)C(=O)NC5=C(C=C(C=C5F)F)F
CAS 146011656
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Other Names Urea, N-{[3-(4-chlorophenyl)-5-methyl-2-benzofuranyl]methyl}-N-(phenylmethyl)-N'-(2,4,6-trifluorophenyl)-

In Other Databases

PubChem 9850056
ChEMBL CHEMBL3187915
ChemSpider 8025769