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