Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C21H21F3N2O/c1-2-3-12-26-14-15(18-6-4-5-7-19(18)26)13-20(27)25-17-10-8-16(9-11-17)21(22,23)24/h4-11,14H,2-3,12-13H2,1H3,(H,25,27)
SMILES CCCCn1cc(c2c1cccc2)CC(=O)Nc1ccc(cc1)C(F)(F)F
InChI Key DSYQXFRPIDFLBX-UHFFFAOYSA-N
Molecular Formula C21H21F3N2O
Exact Mass 374.399 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/DSYQXFRPIDFLBX-UHFFFAOYSA-N/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/DSYQXFRPIDFLBX-UHFFFAOYSA-N/CHMO0000470
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-06-05
Related Molecule
  • 2-(1-butylindol-3-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    138453639 PubChem
    The data in this table is sourced from UniChem at EBI.