Dataset

high-resolution mass spectrometry (HRMS)

dataset for high-resolution mass spectrometry (HRMS)

Chemical Information

molecular Image
InChI InChI=1S/C23H22N2O3S/c1-15(22(28-2)24-20(26)16-8-4-3-5-9-16)23(17-12-13-29-14-17)19-11-7-6-10-18(19)21(27)25-23/h3-15,22H,1-2H3,(H,24,26)(H,25,27)/t15-,22?,23-/m0/s1
SMILES COC([C@@H]([C@]1(NC(=O)c2c1cccc2)c1cscc1)C)NC(=O)c1ccccc1
InChI Key VISMFOAMRITKDT-OPILKIMUSA-N
Molecular Formula C23H22N2O3S
Exact Mass 406.497 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/VISMFOAMRITKDT-OPILKIMUSA-N/CHMO0000498
License URL
Source https://www.chemotion-repository.net/inchikey/VISMFOAMRITKDT-OPILKIMUSA-N/CHMO0000498
Version
Author Georg Manolikakes
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-11-13
Related Molecule
  • N-[(2R)-1-methoxy-2-[(1R)-3-oxo-1-thiophen-3-yl-2H-isoindol-1-yl]propyl]benzamide
    • Field Value
    Measurement Technique high-resolution mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.