2-Morpholino-5-[({1-[4-(trifluoromethyl)-2-pyrimidinyl]-4-piperidinyl}carbonyl)amino]benzoic acid

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Systematic / IUPAC Name: 2-(4-Morpholinyl)-5-[({1-[4-(trifluoromethyl)-2-pyrimidinyl]-4-piperidinyl}carbonyl)amino]benzoic acid

ID: Reference8646

Other Names: Benzoic acid, 2-(4-morpholinyl)-5-[[[1-[4-(trifluoromethyl)-2-pyrimidinyl]-4-piperidinyl]carbonyl]amino]-

Formula: C22H24F3N5O4

Spectral Data

2-Morpholino-5-[({1-[4-(trifluoromethyl)-2-pyrimidinyl]-4-piperidinyl}carbonyl)amino]benzoic acid 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 212
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/6/2019 11:13:07 AM
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Identificators

InChI InChI=1S/C22H24F3N5O4/c23-22(24,25)18-3-6-26-21(28-18)30-7-4-14(5-8-30)19(31)27-15-1-2-17(16(13-15)20(32)33)29-9-11-34-12-10-29/h1-3,6,13-14H,4-5,7-12H2,(H,27,31)(H,32,33)
InChI Key OKTZLKAKHISTMT-UHFFFAOYSA-N
Canonical SMILES C1CN(CCC1C(=O)NC2=CC(=C(C=C2)N3CCOCC3)C(=O)O)C4=NC=CC(=N4)C(F)(F)F
CAS
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Other Names Benzoic acid, 2-(4-morpholinyl)-5-[[[1-[4-(trifluoromethyl)-2-pyrimidinyl]-4-piperidinyl]carbonyl]amino]-

In Other Databases

PubChem 2815762
ChemSpider 2094126