Dataset

high-resolution mass spectrometry (HRMS)

dataset for high-resolution mass spectrometry (HRMS)

Chemical Information

molecular Image
InChI InChI=1S/C27H26N2O4/c1-16-25(28-23(30)13-17-9-5-4-6-10-17)24-21(14-18(32-2)15-22(24)33-3)27(16)20-12-8-7-11-19(20)26(31)29-27/h4-12,14-16,25H,13H2,1-3H3,(H,28,30)(H,29,31)/t16-,25-,27+/m0/s1
SMILES COc1cc(OC)c2c(c1)[C@@]1(NC(=O)c3c1cccc3)[C@H]([C@@H]2NC(=O)Cc1ccccc1)C
InChI Key AZLXCNAIXUPYSM-BNKYSVCDSA-N
Molecular Formula C27H26N2O4
Exact Mass 442.506 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/AZLXCNAIXUPYSM-BNKYSVCDSA-N/CHMO0000498
License URL
Source https://www.chemotion-repository.net/inchikey/AZLXCNAIXUPYSM-BNKYSVCDSA-N/CHMO0000498
Version
Author Georg Manolikakes
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-11-13
Related Molecule
  • N-[(1S,2S,3S)-5,7-dimethoxy-2-methyl-3'-oxospiro[1,2-dihydroindene-3,1'-2H-isoindole]-1-yl]-2-phenylacetamide
    • Field Value
    Measurement Technique high-resolution mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.