PharmaGSID 48513

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Systematic / IUPAC Name: 2-[3,5-Bis(trifluoromethyl)phenyl]-N-{4-(4-fluoro-2-methylphenyl)-6-[(2R,3R)-3-hydroxy-2-(hydroxymethyl)-1-pyrrolidinyl]-3-pyridinyl}-N,2-dimethylpropanamide

ID: Reference3182

Other Names: PharmaGSID_48513;
Benzeneacetamide, N-{4-(4-fluoro-2-methylphenyl)-6-[(2R,3R)-3-hydroxy-2-(hydroxymethyl)-1-pyrrolidinyl]-3-pyridinyl}-N,α,α-trimethyl-3,5-bis(trifluoromethyl)-

Formula: C30H30F7N3O3

Spectral Data

PharmaGSID 48513 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 184
Tandem Spectra MS1, MS2
Ionization Methods ESI; APCI
Analyzers FT
Last Modification 1/22/2018 8:02:58 AM
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Identificators

InChI InChI=1S/C30H30F7N3O3/c1-16-9-20(31)5-6-21(16)22-13-26(40-8-7-25(42)24(40)15-41)38-14-23(22)39(4)27(43)28(2,3)17-10-18(29(32,33)34)12-19(11-17)30(35,36)37/h5-6,9-14,24-25,41-42H,7-8,15H2,1-4H3/t24-,25-/m1/s1
InChI Key QOOXCQFWUYVSGU-JWQCQUIFSA-N
Canonical SMILES CC1=C(C=CC(=C1)F)C2=CC(=NC=C2N(C)C(=O)C(C)(C)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)N4CCC(C4CO)O
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Other Names PharmaGSID_48513;
Benzeneacetamide, N-{4-(4-fluoro-2-methylphenyl)-6-[(2R,3R)-3-hydroxy-2-(hydroxymethyl)-1-pyrrolidinyl]-3-pyridinyl}-N,α,α-trimethyl-3,5-bis(trifluoromethyl)-

In Other Databases

ChEMBL CHEMBL3186426
PubChem 60196441
ChemSpider 29787019