N-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-(phenylsulfanyl)nicotinamide

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Systematic / IUPAC Name: N-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-phenylsulfanylpyridine-3-carboxamide

ID: Reference5985

Other Names: 3-Pyridinecarboxamide, N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(phenylthio)-

Formula: C20H16N2O3S

Spectral Data

N-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-(phenylsulfanyl)nicotinamide 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 9:53:06 AM
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Identificators

InChI InChI=1S/C20H16N2O3S/c23-19(22-14-8-9-17-18(13-14)25-12-11-24-17)16-7-4-10-21-20(16)26-15-5-2-1-3-6-15/h1-10,13H,11-12H2,(H,22,23)
InChI Key OWQONSRFIDEPKX-UHFFFAOYSA-N
Canonical SMILES C1COC2=C(O1)C=CC(=C2)NC(=O)C3=C(N=CC=C3)SC4=CC=CC=C4
CAS
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Other Names 3-Pyridinecarboxamide, N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(phenylthio)-

In Other Databases

ChemSpider 2090466
PubChem 2812060