Dataset

atmospheric pressure chemical ionisation mass spectrometry (APCI MS)

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

Chemical Information

molecular Image
InChI InChI=1S/C25H22N2O3/c1-15-22(26-23(28)16-8-4-3-5-9-16)18-13-12-17(30-2)14-21(18)25(15)20-11-7-6-10-19(20)24(29)27-25/h3-15,22H,1-2H3,(H,26,28)(H,27,29)/t15-,22-,25+/m1/s1
SMILES COc1ccc2c(c1)[C@]1(NC(=O)c3c1cccc3)[C@@H]([C@H]2NC(=O)c1ccccc1)C
InChI Key MRJDYMTUMIDJTE-YQYBNWHVSA-N
Molecular Formula C25H22N2O3
Exact Mass 398.454 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/MRJDYMTUMIDJTE-YQYBNWHVSA-N/CHMO0000473
License URL
Source https://www.chemotion-repository.net/inchikey/MRJDYMTUMIDJTE-YQYBNWHVSA-N/CHMO0000473
Version
Author Georg Manolikakes
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-11-13
Related Molecule
  • N-[(1R,2R,3R)-5-methoxy-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
    No additional information available for this Dataset.