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/C31H26N2O4/c1-36-21-17-24-26(25(18-21)37-2)28(32-29(34)20-13-7-4-8-14-20)27(19-11-5-3-6-12-19)31(24)23-16-10-9-15-22(23)30(35)33-31/h3-18,27-28H,1-2H3,(H,32,34)(H,33,35)/t27-,28+,31+/m0/s1
SMILES COc1cc(OC)c2c(c1)[C@@]1(NC(=O)c3c1cccc3)[C@H]([C@@H]2NC(=O)c1ccccc1)c1ccccc1
InChI Key WSCUALFGPUXSPJ-WTNLLYQRSA-N
Molecular Formula C31H26N2O4
Exact Mass 490.549 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/WSCUALFGPUXSPJ-WTNLLYQRSA-N/CHMO0000473
License URL
Source https://www.chemotion-repository.net/inchikey/WSCUALFGPUXSPJ-WTNLLYQRSA-N/CHMO0000473
Version
Author Georg Manolikakes
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-11-13
Related Molecule
  • N-[(1S,2S,3S)-5,7-dimethoxy-3'-oxo-2-phenylspiro[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.