Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C26H28N4/c1-26(2,3)29-25-24(28-23-17-27-14-15-30(23)25)22-16-20-9-8-18-4-6-19(7-5-18)10-12-21(22)13-11-20/h4-7,11,13-17,29H,8-10,12H2,1-3H3
SMILES CC(Nc1c(nc2n1ccnc2)c1cc2ccc1CCc1ccc(CC2)cc1)(C)C
InChI Key XDVGAMLXRDOWHU-UHFFFAOYSA-N
Molecular Formula C26H28N4
Exact Mass 396.527 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/XDVGAMLXRDOWHU-UHFFFAOYSA-N/Mass
License URL
Source https://www.chemotion-repository.net/inchikey/XDVGAMLXRDOWHU-UHFFFAOYSA-N/Mass
Version
Author Mareen Stahlberger
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-01-31
Related Molecule
  • ~{N}-~{tert}-butyl-2-(5-tricyclo[8.2.2.2^{4,7}]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)imidazo[1,2-a]pyrazin-3-amine
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    137321246 PubChem
    The data in this table is sourced from UniChem at EBI.