CP-457677

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Systematic / IUPAC Name: 2-(4-Fluorophenoxy)-N-[4-(2-hydroxy-2-propanyl)benzyl]nicotinamide

ID: Reference2808

Other Names: 2-(4-Fluorophenoxy)-N-[4-(1-hydroxy-1-methyl-ethyl)benzyl]-nicotinamide;
2-(4-Fluorophenoxy)-N-[4-(2-hydroxypropan-2-yl)benzyl]pyridine-3-carboxamide

Formula: C22H21FN2O3

Spectral Data

CP-457677 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 6/16/2015 12:30:33 PM
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Identificators

InChI InChI=1S/C22H21FN2O3/c1-22(2,27)16-7-5-15(6-8-16)14-25-20(26)19-4-3-13-24-21(19)28-18-11-9-17(23)10-12-18/h3-13,27H,14H2,1-2H3,(H,25,26)
InChI Key UHBUSMAHWHZQKS-UHFFFAOYSA-N
Canonical SMILES CC(C)(C1=CC=C(C=C1)CNC(=O)C2=C(N=CC=C2)OC3=CC=C(C=C3)F)O
CAS 214535770
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Other Names 2-(4-Fluorophenoxy)-N-[4-(1-hydroxy-1-methyl-ethyl)benzyl]-nicotinamide;
2-(4-Fluorophenoxy)-N-[4-(2-hydroxypropan-2-yl)benzyl]pyridine-3-carboxamide

In Other Databases

PubChem 10407399
ChemSpider 8582837
ChEMBL CHEMBL3184398