Dataset

high-resolution mass spectrometry (HRMS)

dataset for high-resolution mass spectrometry (HRMS)

Chemical Information

molecular Image
InChI InChI=1S/C27H23F3N2O4/c1-14-23(31-24(33)15-8-10-16(11-9-15)27(28,29)30)22-20(12-17(35-2)13-21(22)36-3)26(14)19-7-5-4-6-18(19)25(34)32-26/h4-14,23H,1-3H3,(H,31,33)(H,32,34)/t14-,23-,26+/m1/s1
SMILES COc1cc(OC)c2c(c1)[C@]1(NC(=O)c3c1cccc3)[C@@H]([C@H]2NC(=O)c1ccc(cc1)C(F)(F)F)C
InChI Key XHJBCZZFSLTLTN-CHBPNCHNSA-N
Molecular Formula C27H23F3N2O4
Exact Mass 496.478 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/XHJBCZZFSLTLTN-CHBPNCHNSA-N/CHMO0000498
License URL
Source https://www.chemotion-repository.net/inchikey/XHJBCZZFSLTLTN-CHBPNCHNSA-N/CHMO0000498
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]-4-(trifluoromethyl)benzamide
    • Field Value
    Measurement Technique high-resolution mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    169452731 PubChem
    The data in this table is sourced from UniChem at EBI.