Dataset

high-resolution mass spectrometry (HRMS)

dataset for high-resolution mass spectrometry (HRMS)

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+/m1/s1
SMILES COc1cc(OC)c2c(c1)[C@]1(NC(=O)c3c1cccc3)[C@@H]([C@H]2NC(=O)c1ccccc1)c1ccccc1
InChI Key WSCUALFGPUXSPJ-XHWIWGEHSA-N
Molecular Formula C31H26N2O4
Exact Mass 490.549 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/WSCUALFGPUXSPJ-XHWIWGEHSA-N/CHMO0000498
License URL
Source https://www.chemotion-repository.net/inchikey/WSCUALFGPUXSPJ-XHWIWGEHSA-N/CHMO0000498
Version
Author Georg Manolikakes
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-12-15
Related Molecule
  • N-[(1R,2R,3R)-5,7-dimethoxy-3'-oxo-2-phenylspiro[1,2-dihydroindene-3,1'-2H-isoindole]-1-yl]benzamide
    • Field Value
    Measurement Technique high-resolution mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    169452736 PubChem
    The data in this table is sourced from UniChem at EBI.