[(3R,4S)-1-(3,3-Dimethylbutanoyl)-3-{2-[methyl(phenyl)amino]ethyl}-4-piperidinyl]acetic acid

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Systematic / IUPAC Name: 2-[(3R,4S)-1-(3,3-Dimethylbutanoyl)-3-[2-(N-methylanilino)ethyl]piperidin-4-yl]acetic acid

ID: Reference9631

Other Names: 4-Piperidineacetic acid, 1-(3,3-dimethyl-1-oxobutyl)-3-[2-(methylphenylamino)ethyl]-, (3R,4S)-;
NAT14-336852

Formula: C22H34N2O3

Spectral Data

[(3R,4S)-1-(3,3-Dimethylbutanoyl)-3-{2-[methyl(phenyl)amino]ethyl}-4-piperidinyl]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 Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 2
No. of Spectra 2155
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 4/24/2020 12:44:49 PM
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Identificators

InChI InChI=1S/C22H34N2O3/c1-22(2,3)15-20(25)24-13-11-17(14-21(26)27)18(16-24)10-12-23(4)19-8-6-5-7-9-19/h5-9,17-18H,10-16H2,1-4H3,(H,26,27)/t17-,18-/m0/s1
InChI Key VVMHGWJKPOWGCN-ROUUACIJSA-N
Canonical SMILES CC(C)(C)CC(=O)N1CCC(C(C1)CCN(C)C2=CC=CC=C2)CC(=O)O
CAS
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Other Names 4-Piperidineacetic acid, 1-(3,3-dimethyl-1-oxobutyl)-3-[2-(methylphenylamino)ethyl]-, (3R,4S)-;
NAT14-336852

In Other Databases

PubChem 28960095
ChemSpider 22806408