Dataset

atmospheric pressure chemical ionisation mass spectrometry (APCI MS)

dataset for atmospheric pressure chemical ionisation mass spectrometry (APCI MS)

Chemical Info

molecular Image
InChI InChI=1S/C26H24N2O4/c1-15-23(27-24(29)16-9-5-4-6-10-16)22-20(13-17(31-2)14-21(22)32-3)26(15)19-12-8-7-11-18(19)25(30)28-26/h4-15,23H,1-3H3,(H,27,29)(H,28,30)/t15-,23-,26+/m1/s1
SMILES COc1cc(OC)c2c(c1)[C@]1(NC(=O)c3c1cccc3)[C@@H]([C@H]2NC(=O)c1ccccc1)C
InChI Key JGPWTFKOWRDRBE-NQQGWXOOSA-N
Molecular Formula C26H24N2O4
Exact Mass 428.480 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/JGPWTFKOWRDRBE-NQQGWXOOSA-N/CHMO0000473
License URL
Source https://www.chemotion-repository.net/inchikey/JGPWTFKOWRDRBE-NQQGWXOOSA-N/CHMO0000473
Version
Author Georg Manolikakes
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-12-15
Related Molecule
  • N-[(1R,2R,3R)-5,7-dimethoxy-2-methyl-3'-oxospiro[1,2-dihydroindene-3,1'-2H-isoindole]-1-yl]benzamide
    • Field Value
    Measurement Technique atmospheric pressure chemical ionisation mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    169452730 PubChem
    The data in this table is sourced from UniChem at EBI.