2-({2-[4-(4-Fluorophenyl)piperazino]-2-oxoethyl}sulfanyl)acetic acid

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Systematic / IUPAC Name: ({2-[4-(4-Fluorophenyl)-1-piperazinyl]-2-oxoethyl}sulfanyl)acetic acid

ID: Reference6482

Other Names: Acetic acid, 2-({2-[4-(4-fluorophenyl)-1-piperazinyl]-2-oxoethyl}thio)-

Formula: C14H17FN2O3S

Spectral Data

2-({2-[4-(4-Fluorophenyl)piperazino]-2-oxoethyl}sulfanyl)acetic acid 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 3/17/2017 10:36:59 AM
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Identificators

InChI InChI=1S/C14H17FN2O3S/c15-11-1-3-12(4-2-11)16-5-7-17(8-6-16)13(18)9-21-10-14(19)20/h1-4H,5-10H2,(H,19,20)
InChI Key QTPBEOVVURPKLE-UHFFFAOYSA-N
Canonical SMILES C1CN(CCN1C2=CC=C(C=C2)F)C(=O)CSCC(=O)O
CAS
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Other Names Acetic acid, 2-({2-[4-(4-fluorophenyl)-1-piperazinyl]-2-oxoethyl}thio)-

In Other Databases

PubChem 2812661
ChemSpider 2091065; 21202846