SSR103800

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Systematic / IUPAC Name: N-[(S)-(3S)-1-Azabicyclo[2.2.2]oct-3-yl(phenyl)methyl]-2,6-dichloro-3-(trifluoromethyl)benzamide

ID: Reference2785

Other Names: Benzamide, N-[(S)-(3S)-1-azabicyclo[2.2.2]oct-3-ylphenylmethyl]-2,6-dichloro-3-(trifluoromethyl)-

Formula: C22H21Cl2F3N2O

Spectral Data

SSR103800 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 9/29/2015 12:39:07 PM
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Identificators

InChI InChI=1S/C22H21Cl2F3N2O/c23-17-7-6-16(22(25,26)27)19(24)18(17)21(30)28-20(14-4-2-1-3-5-14)15-12-29-10-8-13(15)9-11-29/h1-7,13,15,20H,8-12H2,(H,28,30)/t15-,20-/m1/s1
InChI Key VUBUDJCRCAHMBH-FOIQADDNSA-N
Canonical SMILES C1CN2CCC1C(C2)C(C3=CC=CC=C3)NC(=O)C4=C(C=CC(=C4Cl)C(F)(F)F)Cl
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Other Names Benzamide, N-[(S)-(3S)-1-azabicyclo[2.2.2]oct-3-ylphenylmethyl]-2,6-dichloro-3-(trifluoromethyl)-

In Other Databases

ChemSpider 34245897
ChEMBL CHEMBL3303789
PubChem 53316381