N-(1,3-Benzodioxol-5-ylmethyl)-2-phenoxynicotinamide

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Systematic / IUPAC Name: N-(1,3-Benzodioxol-5-ylmethyl)-2-phenoxynicotinamide

ID: Reference4077

Other Names: 3-Pyridinecarboxamide, N-(1,3-benzodioxol-5-ylmethyl)-2-phenoxy-

Formula: C20H16N2O4

Spectral Data

N-(1,3-Benzodioxol-5-ylmethyl)-2-phenoxynicotinamide 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 236
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/7/2016 9:12:36 AM
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Identificators

InChI InChI=1S/C20H16N2O4/c23-19(22-12-14-8-9-17-18(11-14)25-13-24-17)16-7-4-10-21-20(16)26-15-5-2-1-3-6-15/h1-11H,12-13H2,(H,22,23)
InChI Key VGRYUWWPNTVXIP-UHFFFAOYSA-N
Canonical SMILES C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=C(N=CC=C3)OC4=CC=CC=C4
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Other Names 3-Pyridinecarboxamide, N-(1,3-benzodioxol-5-ylmethyl)-2-phenoxy-

In Other Databases

PubChem 2811303
ChemSpider 2089715