A-836339

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Systematic / IUPAC Name: N-[(2Z)-3-(2-Methoxyethyl)-4,5-dimethyl-1,3-thiazol-2(3H)-ylidene]-2,2,3,3-tetramethylcyclopropanecarboxamide

ID: Reference5086

Other Names: Cyclopropanecarboxamide, N-[(2Z)-3-(2-methoxyethyl)-4,5-dimethyl-2(3H)-thiazolylidene]-2,2,3,3-tetramethyl-

Formula: C16H26N2O2S

Class: Drugs of Abuse/Illegal Drugs Sports Doping Drugs

Spectral Data

A-836339 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 with FAIMS ; Q Exactive Plus Orbitrap
No. of Spectral Trees 3
No. of Spectra 1505
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods ESI; NSI
Analyzers FT
Last Modification 1/8/2019 8:58:59 AM
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Identificators

InChI InChI=1S/C16H26N2O2S/c1-10-11(2)21-14(18(10)8-9-20-7)17-13(19)12-15(3,4)16(12,5)6/h12H,8-9H2,1-7H3/b17-14-
InChI Key JKGIMVBQKSRTGX-VKAVYKQESA-N
Canonical SMILES CC1=C(C)N(CCOC)/C(S1)=N/C(C2C(C)(C)C2(C)C)=O
CAS 959746771
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Other Names Cyclopropanecarboxamide, N-[(2Z)-3-(2-methoxyethyl)-4,5-dimethyl-2(3H)-thiazolylidene]-2,2,3,3-tetramethyl-

In Other Databases

Wikipedia A-836,339
ChEMBL CHEMBL1668519
PubChem 17754357
ChemSpider 26386293