SSR504734

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Systematic / IUPAC Name: 2-chloro-N-[phenyl(piperidin-2-yl)methyl]-3-(trifluoromethyl)benzamide

ID: Reference2782

Other Names: Benzamide, 2-chloro-N-(phenyl-2-piperidinylmethyl)-3-(trifluoromethyl)-

Formula: C20H20ClF3N2O

Spectral Data

SSR504734 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 186
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 9/29/2015 12:38:35 PM
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Identificators

InChI InChI=1S/C20H20ClF3N2O/c21-17-14(9-6-10-15(17)20(22,23)24)19(27)26-18(13-7-2-1-3-8-13)16-11-4-5-12-25-16/h1-3,6-10,16,18,25H,4-5,11-12H2,(H,26,27)
InChI Key MEZRZVWPLXVLSO-UHFFFAOYSA-N
Canonical SMILES C1CCNC(C1)C(C2=CC=CC=C2)NC(=O)C3=C(C(=CC=C3)C(F)(F)F)Cl
CAS 742693385
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Other Names Benzamide, 2-chloro-N-(phenyl-2-piperidinylmethyl)-3-(trifluoromethyl)-

In Other Databases

ChEMBL CHEMBL2136521
PubChem 11998345
ChemSpider 10170812