Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C16H15N3/c1-10-8-13-14(9-11(10)2)19-16(17)15(18-13)12-6-4-3-5-7-12/h3-9H,1-2H3,(H2,17,19)
SMILES Nc1nc2cc(C)c(cc2nc1c1ccccc1)C
InChI Key FGQYGNNVZDLEJN-UHFFFAOYSA-N
Molecular Formula C16H15N3
Exact Mass 249.310 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/FGQYGNNVZDLEJN-UHFFFAOYSA-N/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/FGQYGNNVZDLEJN-UHFFFAOYSA-N/CHMO0000470
Version
Author Jérôme Klein
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-07-26
Related Molecule
  • 6,7-dimethyl-3-phenylquinoxalin-2-amine
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    58101148 PubChem: Thomson Pharma
    J2.708.192D Nikkaji
    25266393 PubChem
    The data in this table is sourced from UniChem at EBI.