3-({[1-(2-Chloro-6-fluorobenzyl)-4-piperidinyl]amino}carbonyl)-2-pyrazinecarboxylic acid

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Systematic / IUPAC Name: 3-[[1-[(2-Chloro-6-fluorophenyl)methyl]piperidin-4-yl]carbamoyl]pyrazine-2-carboxylic acid

ID: Reference5974

Other Names: 2-Pyrazinecarboxylic acid, 3-[({1-[(2-chloro-6-fluorophenyl)methyl]-4-piperidinyl}amino)carbonyl]-

Formula: C18H18ClFN4O3

Spectral Data

3-({[1-(2-Chloro-6-fluorobenzyl)-4-piperidinyl]amino}carbonyl)-2-pyrazinecarboxylic 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 1
No. of Spectra 117
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 11/15/2016 9:03:37 AM
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Identificators

InChI InChI=1S/C18H18ClFN4O3/c19-13-2-1-3-14(20)12(13)10-24-8-4-11(5-9-24)23-17(25)15-16(18(26)27)22-7-6-21-15/h1-3,6-7,11H,4-5,8-10H2,(H,23,25)(H,26,27)
InChI Key IABVHGADHWPHGH-UHFFFAOYSA-N
Canonical SMILES C1CN(CCC1NC(=O)C2=NC=CN=C2C(=O)O)CC3=C(C=CC=C3Cl)F
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Other Names 2-Pyrazinecarboxylic acid, 3-[({1-[(2-chloro-6-fluorophenyl)methyl]-4-piperidinyl}amino)carbonyl]-

In Other Databases

PubChem 2810693
ChemSpider 2089108