3-({[2-(4-Benzylpiperazino)ethyl]amino}carbonyl)-2-pyrazinecarboxylic acid

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Systematic / IUPAC Name: 3-{[2-(4-Benzyl-1-piperazinyl)ethyl]carbamoyl}-2-pyrazinecarboxylic acid

ID: Reference3961

Other Names: 2-Pyrazinecarboxylic acid, 3-[[[2-[4-(phenylmethyl)-1-piperazinyl]ethyl]amino]carbonyl]-

Formula: C19H23N5O3

Spectral Data

3-({[2-(4-Benzylpiperazino)ethyl]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 2
No. of Spectra 195
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 2/25/2016 3:30:29 PM
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Identificators

InChI InChI=1S/C19H23N5O3/c25-18(16-17(19(26)27)21-7-6-20-16)22-8-9-23-10-12-24(13-11-23)14-15-4-2-1-3-5-15/h1-7H,8-14H2,(H,22,25)(H,26,27)
InChI Key NJIDZOZYJQNASA-UHFFFAOYSA-N
Canonical SMILES C1CN(CCN1CCNC(=O)C2=NC=CN=C2C(=O)O)CC3=CC=CC=C3
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Other Names 2-Pyrazinecarboxylic acid, 3-[[[2-[4-(phenylmethyl)-1-piperazinyl]ethyl]amino]carbonyl]-

In Other Databases

ChemSpider 2089809
PubChem 2811397