2-[({1-[4-(Trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl}amino)carbonyl]benzoic acid

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Systematic / IUPAC Name: 2-[[1-[4-(Trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]carbamoyl]benzoic acid

ID: Reference8433

Other Names: Benzoic acid, 2-[[[1-[4-(trifluoromethyl)-2-pyrimidinyl]-4-piperidinyl]amino]carbonyl]-;
2-[[1-[4-(Trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]carbamoyl]benzoic acid

Formula: C18H17F3N4O3

Spectral Data

2-[({1-[4-(Trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl}amino)carbonyl]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 220
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 12/11/2018 8:39:25 AM
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Identificators

InChI InChI=1S/C18H17F3N4O3/c19-18(20,21)14-5-8-22-17(24-14)25-9-6-11(7-10-25)23-15(26)12-3-1-2-4-13(12)16(27)28/h1-5,8,11H,6-7,9-10H2,(H,23,26)(H,27,28)
InChI Key YRARFYQVPMELPW-UHFFFAOYSA-N
Canonical SMILES C1CN(CCC1NC(=O)C2=CC=CC=C2C(=O)O)C3=NC=CC(=N3)C(F)(F)F
CAS
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Other Names Benzoic acid, 2-[[[1-[4-(trifluoromethyl)-2-pyrimidinyl]-4-piperidinyl]amino]carbonyl]-;
2-[[1-[4-(Trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]carbamoyl]benzoic acid

In Other Databases

ChemSpider 2074991
PubChem 2796115
ChEMBL CHEMBL1880536