AVE 2865

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Systematic / IUPAC Name: 1-{2-[(2-Chloro-4,5-difluorobenzoyl)carbamoylamino]-4-fluorophenyl}piperidine-4-carboxylic acid

ID: Reference2792

Other Names: 1-[2-({[(2-Chloro-4,5-difluorophenyl)formamido]carbonyl}amino)-4-fluorophenyl]piperidine-4-carboxylic acid;
1-{2-[3-(2-Chloro-4,5-difluoro-benzoyl)-ureido]-4-fluoro-phenyl}-piperidine-4-carboxylic acid

Formula: C20H17ClF3N3O4

Spectral Data

AVE 2865 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 2
No. of Spectra 236
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 6/10/2015 1:31:57 PM
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Identificators

InChI InChI=1S/C20H17ClF3N3O4/c21-13-9-15(24)14(23)8-12(13)18(28)26-20(31)25-16-7-11(22)1-2-17(16)27-5-3-10(4-6-27)19(29)30/h1-2,7-10H,3-6H2,(H,29,30)(H2,25,26,28,31)
InChI Key KAJJGOCSAXKXBD-UHFFFAOYSA-N
Canonical SMILES C1CN(CCC1C(=O)O)C2=C(C=C(C=C2)F)NC(=O)NC(=O)C3=CC(=C(C=C3Cl)F)F
CAS 648917139
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Other Names 1-[2-({[(2-Chloro-4,5-difluorophenyl)formamido]carbonyl}amino)-4-fluorophenyl]piperidine-4-carboxylic acid;
1-{2-[3-(2-Chloro-4,5-difluoro-benzoyl)-ureido]-4-fluoro-phenyl}-piperidine-4-carboxylic acid

In Other Databases

ChEMBL CHEMBL1231099
DrugBank DB07396
PubChem 12148754
ChemSpider 10631476