AB-005

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Systematic / IUPAC Name: {1-[(1-Methyl-2-piperidinyl)methyl]-1H-indol-3-yl}(2,2,3,3-tetramethylcyclopropyl)methanone

ID: Reference5173

Other Names: Methanone, {1-[(1-methyl-2-piperidinyl)methyl]-1H-indol-3-yl}(2,2,3,3-tetramethylcyclopropyl)-

Formula: C23H32N2O

Class: Drugs of Abuse/Illegal Drugs Sports Doping Drugs

Spectral Data

AB-005 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 2988
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods ESI; NSI
Analyzers FT
Last Modification 1/8/2019 8:54:56 AM
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Identificators

InChI InChI=1S/C23H32N2O/c1-22(2)21(23(22,3)4)20(26)18-15-25(19-12-7-6-11-17(18)19)14-16-10-8-9-13-24(16)5/h6-7,11-12,15-16,21H,8-10,13-14H2,1-5H3
InChI Key MOBWRRIAIHYXLB-UHFFFAOYSA-N
Canonical SMILES CC1(C(C1(C)C)C(=O)C2=CN(C3=CC=CC=C32)CC4CCCCN4C)C
CAS 895155256
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Other Names Methanone, {1-[(1-methyl-2-piperidinyl)methyl]-1H-indol-3-yl}(2,2,3,3-tetramethylcyclopropyl)-

In Other Databases

ChEMBL CHEMBL571330
PubChem 11537652
Wikipedia AB-005
ChemSpider 9712433