PK 11195

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Systematic / IUPAC Name: N-Butan-2-yl-1-(2-chlorophenyl)-N-methylisoquinoline-3-carboxamide

ID: Reference2797

Other Names: N-[(2S)-Butan-2-yl]-1-(2-chlorophenyl)-N-methylisoquinoline-3-carboxamide;
N-sec-Butyl-1-(2-chlorophenyl)-N-methylisoquinoline-3-carboxamide;
1-(2-Chlorophenyl)-N-methyl-N-(1-methylpropyl)-3-isoquinolinecarboxamide;
3-Isoquinolinecarboxamide, 1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)-

Formula: C21H21ClN2O

Spectral Data

PK 11195 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 118
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 6/12/2015 6:58:01 AM
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Identificators

InChI InChI=1S/C21H21ClN2O/c1-4-14(2)24(3)21(25)19-13-15-9-5-6-10-16(15)20(23-19)17-11-7-8-12-18(17)22/h5-14H,4H2,1-3H3
InChI Key RAVIZVQZGXBOQO-UHFFFAOYSA-N
Canonical SMILES CCC(C)N(C)C(=O)C1=CC2=CC=CC=C2C(=N1)C3=CC=CC=C3Cl
CAS 85532758
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Other Names N-[(2S)-Butan-2-yl]-1-(2-chlorophenyl)-N-methylisoquinoline-3-carboxamide;
N-sec-Butyl-1-(2-chlorophenyl)-N-methylisoquinoline-3-carboxamide;
1-(2-Chlorophenyl)-N-methyl-N-(1-methylpropyl)-3-isoquinolinecarboxamide;
3-Isoquinolinecarboxamide, 1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)-

In Other Databases

ChemSpider 1305
Wikipedia PK-11195
PubChem 1345
ChemIDPlus 085532758
ChEBI CHEBI:73290