Dataset

high-resolution mass spectrometry (HRMS)

dataset for high-resolution mass spectrometry (HRMS)

Chemical Information

molecular Image
InChI InChI=1S/C28H26N2O4/c1-17-26(29-24(31)14-13-18-9-5-4-6-10-18)25-22(15-19(33-2)16-23(25)34-3)28(17)21-12-8-7-11-20(21)27(32)30-28/h4-17,26H,1-3H3,(H,29,31)(H,30,32)/b14-13+/t17-,26-,28+/m1/s1
SMILES COc1cc(OC)c2c(c1)[C@]1(NC(=O)c3c1cccc3)[C@@H]([C@H]2NC(=O)/C=C/c1ccccc1)C
InChI Key CYYPUJZZKLYOSV-OZEOBXJISA-N
Molecular Formula C28H26N2O4
Exact Mass 454.517 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/CYYPUJZZKLYOSV-OZEOBXJISA-N/CHMO0000498
License URL
Source https://www.chemotion-repository.net/inchikey/CYYPUJZZKLYOSV-OZEOBXJISA-N/CHMO0000498
Version
Author Georg Manolikakes
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-12-15
Related Molecule
  • (E)-N-[(1R,2R,3R)-5,7-dimethoxy-2-methyl-3'-oxospiro[1,2-dihydroindene-3,1'-2H-isoindole]-1-yl]-3-phenylprop-2-enamide
    • Field Value
    Measurement Technique high-resolution mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    169452739 PubChem
    The data in this table is sourced from UniChem at EBI.