CP-114271

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Systematic / IUPAC Name: {4-[2-({2-Hydroxy-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethyl}amino)propyl]phenoxy}acetic acid

ID: Reference3156

Other Names: N-[2-(4-Carboxymethoxyphenyl)-1-methylethyl]-2-hydroxy-2-(2-trifluoromethyl-thiazol-4-yl)ethanamine;
Acetic acid, 2-{4-[2-({2-hydroxy-2-[2-(trifluoromethyl)-4-thiazolyl]ethyl}amino)propyl]phenoxy}-

Formula: C17H19F3N2O4S

Spectral Data

CP-114271 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 238
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 10/22/2015 10:34:22 AM
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Identificators

InChI InChI=1S/C17H19F3N2O4S/c1-10(6-11-2-4-12(5-3-11)26-8-15(24)25)21-7-14(23)13-9-27-16(22-13)17(18,19)20/h2-5,9-10,14,21,23H,6-8H2,1H3,(H,24,25)
InChI Key YVIXXPCJZAUQHJ-UHFFFAOYSA-N
Canonical SMILES CC(CC1=CC=C(C=C1)OCC(=O)O)NCC(C2=CSC(=N2)C(F)(F)F)O
CAS 113734182
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Other Names N-[2-(4-Carboxymethoxyphenyl)-1-methylethyl]-2-hydroxy-2-(2-trifluoromethyl-thiazol-4-yl)ethanamine;
Acetic acid, 2-{4-[2-({2-hydroxy-2-[2-(trifluoromethyl)-4-thiazolyl]ethyl}amino)propyl]phenoxy}-

In Other Databases

ChemSpider 13298558
PubChem 18551400
ChEMBL CHEMBL3186106