Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C14H16N6/c1-2-3-6-10-9-20(19-18-10)14-13(15)16-11-7-4-5-8-12(11)17-14/h4-5,7-9H,2-3,6H2,1H3,(H2,15,16)
SMILES CCCCc1nnn(c1)c1nc2ccccc2nc1N
InChI Key HPWSELBHSNTVDQ-UHFFFAOYSA-N
Molecular Formula C14H16N6
Exact Mass 268.317 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/HPWSELBHSNTVDQ-UHFFFAOYSA-N/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/HPWSELBHSNTVDQ-UHFFFAOYSA-N/CHMO0000470
Version
Author Olaf Fuhr
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-02-11
Related Molecule
  • 3-(4-butyltriazol-1-yl)quinoxalin-2-amine
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    162623387 PubChem
    The data in this table is sourced from UniChem at EBI.