Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C44H28N4O/c49-44-27-45-38-25-36(28-17-21-30(22-18-28)47-40-13-5-1-9-32(40)33-10-2-6-14-41(33)47)37(26-39(38)46-44)29-19-23-31(24-20-29)48-42-15-7-3-11-34(42)35-12-4-8-16-43(35)48/h1-27H,(H,46,49)
SMILES O=c1cnc2c([nH]1)cc(c(c2)c1ccc(cc1)n1c2ccccc2c2c1cccc2)c1ccc(cc1)n1c2ccccc2c2c1cccc2
InChI Key CIDJKTRZYQJHMN-UHFFFAOYSA-N
Exact Mass 628.719 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/CIDJKTRZYQJHMN-UHFFFAOYSA-N/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/CIDJKTRZYQJHMN-UHFFFAOYSA-N/CHMO0000470
Version
Author Laura Holzhauer
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-03-16
Related Molecule
  • 6,7-bis(4-carbazol-9-ylphenyl)-1H-quinoxalin-2-one
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    172877790 pubchem
    The data in this table is sourced from UniChem at EBI.