1-(Phenylthio)-3-{4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazino}propan-2-ol

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Systematic / IUPAC Name: 1-(Phenylsulfanyl)-3-{4-[4-(trifluoromethyl)-2-pyrimidinyl]-1-piperazinyl}-2-propanol

ID: Reference5006

Other Names: 1-Piperazineethanol, α-[(phenylthio)methyl]-4-[4-(trifluoromethyl)-2-pyrimidinyl]-

Formula: C18H21F3N4OS

Spectral Data

1-(Phenylthio)-3-{4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazino}propan-2-ol 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 6/20/2016 8:00:55 AM
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Identificators

InChI InChI=1S/C18H21F3N4OS/c19-18(20,21)16-6-7-22-17(23-16)25-10-8-24(9-11-25)12-14(26)13-27-15-4-2-1-3-5-15/h1-7,14,26H,8-13H2
InChI Key SUQDQPNJIDCIMZ-UHFFFAOYSA-N
Canonical SMILES C1CN(CCN1CC(CSC2=CC=CC=C2)O)C3=NC=CC(=N3)C(F)(F)F
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Other Names 1-Piperazineethanol, α-[(phenylthio)methyl]-4-[4-(trifluoromethyl)-2-pyrimidinyl]-

In Other Databases

ChemSpider 2074540
PubChem 2795663