PX 2

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Systematic / IUPAC Name: Nα-{[1-(5-fluoropentyl)-1H-indazol-3-yl]carbonyl}-D-phenylalaninamide

ID: Reference5320

Other Names: (R)-N-(1-Amino-1-oxo-3-phenylpropan-2-yl)-1-(5-fluoropentyl)-1H-indazole-3-carboxamide;
1H-Indazole-3-carboxamide, N-[(1R)-2-amino-2-oxo-1-(phenylmethyl)ethyl]-1-(5-fluoropentyl)-;
Nα-{[1-(5-Fluoropentyl)-1H-indazol-3-yl]carbonyl}-D-phenylalaninamide

Formula: C22H25FN4O2

Class: Drugs of Abuse/Illegal Drugs

Spectral Data

PX 2 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 Plus Orbitrap
No. of Spectral Trees 1
No. of Spectra 119
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 7/28/2016 8:05:12 AM
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Identificators

InChI InChI=1S/C22H25FN4O2/c23-13-7-2-8-14-27-19-12-6-5-11-17(19)20(26-27)22(29)25-18(21(24)28)15-16-9-3-1-4-10-16/h1,3-6,9-12,18H,2,7-8,13-15H2,(H2,24,28)(H,25,29)/t18-/m1/s1
InChI Key OJTAHWMZBJRSIR-GOSISDBHSA-N
Canonical SMILES O=C(N[C@@H](C(N)=O)CC1=CC=CC=C1)C2=NN(CCCCCF)C3=C2C=CC=C3
CAS
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Other Names (R)-N-(1-Amino-1-oxo-3-phenylpropan-2-yl)-1-(5-fluoropentyl)-1H-indazole-3-carboxamide;
1H-Indazole-3-carboxamide, N-[(1R)-2-amino-2-oxo-1-(phenylmethyl)ethyl]-1-(5-fluoropentyl)-;
Nα-{[1-(5-Fluoropentyl)-1H-indazol-3-yl]carbonyl}-D-phenylalaninamide

In Other Databases

Wikipedia PX-2
ChemSpider 32741702