2-({2-[(1-Benzylpiperidin-4-yl)amino]-2-oxoethyl}thio)acetic acid

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Systematic / IUPAC Name: ({2-[(1-Benzyl-4-piperidinyl)amino]-2-oxoethyl}sulfanyl)acetic acid

ID: Reference4842

Other Names: Acetic acid, 2-[(2-oxo-2-{[1-(phenylmethyl)-4-piperidinyl]amino}ethyl)thio]-

Formula: C16H22N2O3S

Spectral Data

2-({2-[(1-Benzylpiperidin-4-yl)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 1
No. of Spectra 119
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 5/13/2016 6:51:26 AM
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Identificators

InChI InChI=1S/C16H22N2O3S/c19-15(11-22-12-16(20)21)17-14-6-8-18(9-7-14)10-13-4-2-1-3-5-13/h1-5,14H,6-12H2,(H,17,19)(H,20,21)
InChI Key XGWLQPIKFDOHIQ-UHFFFAOYSA-N
Canonical SMILES C1CN(CCC1NC(=O)CSCC(=O)O)CC2=CC=CC=C2
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Other Names Acetic acid, 2-[(2-oxo-2-{[1-(phenylmethyl)-4-piperidinyl]amino}ethyl)thio]-

In Other Databases

PubChem 2826245
ChemSpider 2104358