Dataset

high-resolution mass spectrometry (HRMS)

dataset for high-resolution mass spectrometry (HRMS)

Chemical Information

molecular Image
InChI InChI=1S/C22H18N2O2S/c1-13-18(23-20(25)14-7-3-2-4-8-14)19-17(11-12-27-19)22(13)16-10-6-5-9-15(16)21(26)24-22/h2-13,18H,1H3,(H,23,25)(H,24,26)/t13-,18?,22+/m1/s1
SMILES O=C(c1ccccc1)NC1c2sccc2[C@@]2([C@@H]1C)NC(=O)c1c2cccc1
InChI Key XUTLZPZAGNQSPL-ODHQKICUSA-N
Molecular Formula C22H18N2O2S
Exact Mass 374.456 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/XUTLZPZAGNQSPL-ODHQKICUSA-N/CHMO0000498
License URL
Source https://www.chemotion-repository.net/inchikey/XUTLZPZAGNQSPL-ODHQKICUSA-N/CHMO0000498
Version
Author Georg Manolikakes
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-11-13
Related Molecule
  • N-[(1S,5'R)-5'-methyl-3-oxospiro[2H-isoindole-1,4'-5,6-dihydrocyclopenta[b]thiophene]-6'-yl]benzamide
    • Field Value
    Measurement Technique high-resolution mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.