AVE8923

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Systematic / IUPAC Name: {4-[5-(Aminomethyl)-2-fluorophenyl]-1-piperidinyl}(4-bromo-3-methyl-5-propoxy-2-thienyl)methanone

ID: Reference3132

Other Names: Methanone, {4-[5-(aminomethyl)-2-fluorophenyl]-1-piperidinyl}(4-bromo-3-methyl-5-propoxy-2-thienyl)-

Formula: C21H26BrFN2O2S

Spectral Data

AVE8923 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 117
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 10/20/2015 7:19:08 AM
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Identificators

InChI InChI=1S/C21H26BrFN2O2S/c1-3-10-27-21-18(22)13(2)19(28-21)20(26)25-8-6-15(7-9-25)16-11-14(12-24)4-5-17(16)23/h4-5,11,15H,3,6-10,12,24H2,1-2H3
InChI Key IFWLUOOAWLUBQN-UHFFFAOYSA-N
Canonical SMILES CCCOC1=C(C(=C(S1)C(=O)N2CCC(CC2)C3=C(C=CC(=C3)CN)F)C)Br
CAS
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Other Names Methanone, {4-[5-(aminomethyl)-2-fluorophenyl]-1-piperidinyl}(4-bromo-3-methyl-5-propoxy-2-thienyl)-

In Other Databases

PubChem 11477652
ChEMBL CHEMBL3302241
ChemSpider 9652480