N-(1,3-Benzodioxol-5-ylmethyl)-1-benzothiophene-2-carboxamide

enlarge

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

ID: Reference4057

Other Names: Benzo[b]thiophene-2-carboxamide, N-(1,3-benzodioxol-5-ylmethyl)-

Formula: C17H13NO3S

Spectral Data

N-(1,3-Benzodioxol-5-ylmethyl)-1-benzothiophene-2-carboxamide mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 2
No. of Spectra 238
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/3/2016 12:26:12 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C17H13NO3S/c19-17(16-8-12-3-1-2-4-15(12)22-16)18-9-11-5-6-13-14(7-11)21-10-20-13/h1-8H,9-10H2,(H,18,19)
InChI Key SDUCMVTXSUAROP-UHFFFAOYSA-N
Canonical SMILES C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CC4=CC=CC=C4S3
CAS
Splash
Other Names Benzo[b]thiophene-2-carboxamide, N-(1,3-benzodioxol-5-ylmethyl)-

In Other Databases

PubChem 2810328
ChemSpider 2088744