AKB48

enlarge

Systematic / IUPAC Name: N-(Adamantan-1-yl)-1-pentyl-1H-indazole-3-carboxamide

ID: Reference5697

Other Names: APINACA;
N-(Adamantan-1-yl)-1-pentylindazole-3-carboxamide ;
1-Pentyl-N-tricyclo[3.3.1.1(3,7)]dec-1-yl-1H-indazole-3-carboxamide ;
1-Pentyl-N-tricyclo[3.3.1.13,7]dec-1-yl-1H-indazole-3-carboxamide

Formula: C23H31N3O

Class: Drugs of Abuse/Illegal Drugs

Spectral Data

AKB48 mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Q Exactive Plus Orbitrap
No. of Spectral Trees 1
No. of Spectra 117
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 9/26/2016 9:13:02 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C23H31N3O/c1-2-3-6-9-26-20-8-5-4-7-19(20)21(25-26)22(27)24-23-13-16-10-17(14-23)12-18(11-16)15-23/h4-5,7-8,16-18H,2-3,6,9-15H2,1H3,(H,24,27)
InChI Key UCTCCIPCJZKWEZ-UHFFFAOYSA-N
Canonical SMILES CCCCCN1C2=CC=CC=C2C(=N1)C(=O)NC34CC5CC(C3)CC(C5)C4
CAS 1345973536
Splash
Other Names APINACA;
N-(Adamantan-1-yl)-1-pentylindazole-3-carboxamide ;
1-Pentyl-N-tricyclo[3.3.1.1(3,7)]dec-1-yl-1H-indazole-3-carboxamide ;
1-Pentyl-N-tricyclo[3.3.1.13,7]dec-1-yl-1H-indazole-3-carboxamide

In Other Databases

Wikipedia APINACA
ChemSpider 28189076
PubChem 57404063