2-({2-[(5-Chloro-2-pyridyl)amino]-2-oxoethyl}thio)acetic acid

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Systematic / IUPAC Name: ({2-[(5-Chloro-2-pyridinyl)amino]-2-oxoethyl}sulfanyl)acetic acid

ID: Reference4172

Other Names: Acetic acid, 2-({2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl}thio)-

Formula: C9H9ClN2O3S

Spectral Data

2-({2-[(5-Chloro-2-pyridyl)amino]-2-oxoethyl}thio)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 219
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/11/2016 12:39:19 PM
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Identificators

InChI InChI=1S/C9H9ClN2O3S/c10-6-1-2-7(11-3-6)12-8(13)4-16-5-9(14)15/h1-3H,4-5H2,(H,14,15)(H,11,12,13)
InChI Key HDBHSQMIHPDLEP-UHFFFAOYSA-N
Canonical SMILES C1=CC(=NC=C1Cl)NC(=O)CSCC(=O)O
CAS
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Other Names Acetic acid, 2-({2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl}thio)-

In Other Databases

PubChem 695212
ChemSpider 605715