2-({2-Oxo-2-[2-(1-pyrrolidinyl)-5-(trifluoromethyl)anilino]ethyl}sulfanyl)acetic acid

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Systematic / IUPAC Name: [(2-Oxo-2-{[2-(1-pyrrolidinyl)-5-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]acetic acid

ID: Reference7006

Other Names: Acetic acid, 2-[(2-oxo-2-{[2-(1-pyrrolidinyl)-5-(trifluoromethyl)phenyl]amino}ethyl)thio]-

Formula: C15H17F3N2O3S

Spectral Data

2-({2-Oxo-2-[2-(1-pyrrolidinyl)-5-(trifluoromethyl)anilino]ethyl}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 2
No. of Spectra 237
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 11/21/2017 8:15:18 AM
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Identificators

InChI InChI=1S/C15H17F3N2O3S/c16-15(17,18)10-3-4-12(20-5-1-2-6-20)11(7-10)19-13(21)8-24-9-14(22)23/h3-4,7H,1-2,5-6,8-9H2,(H,19,21)(H,22,23)
InChI Key MMJFBTSUDFGACW-UHFFFAOYSA-N
Canonical SMILES C1CCN(C1)C2=C(C=C(C=C2)C(F)(F)F)NC(=O)CSCC(=O)O
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Other Names Acetic acid, 2-[(2-oxo-2-{[2-(1-pyrrolidinyl)-5-(trifluoromethyl)phenyl]amino}ethyl)thio]-

In Other Databases

ChemSpider 2093193
PubChem 2814808