Dataset

high-resolution mass spectrometry (HRMS)

dataset for high-resolution mass spectrometry (HRMS)

Chemical Information

molecular Image
InChI InChI=1S/C26H24N2O3/c1-3-18-23(27-25(29)16-9-5-4-6-10-16)21-15-17(31-2)13-14-22(21)28-24(18)19-11-7-8-12-20(19)26(28)30/h4-15,18,23-24H,3H2,1-2H3,(H,27,29)/t18-,23-,24-/m1/s1
SMILES COc1ccc2c(c1)[C@H](NC(=O)c1ccccc1)[C@H]([C@H]1N2C(=O)c2c1cccc2)CC
InChI Key FUOUKDJVZAOCOJ-DQMJNTIXSA-N
Molecular Formula C26H24N2O3
Exact Mass 412.480 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/FUOUKDJVZAOCOJ-DQMJNTIXSA-N/CHMO0000498
License URL
Source https://www.chemotion-repository.net/inchikey/FUOUKDJVZAOCOJ-DQMJNTIXSA-N/CHMO0000498
Version
Author Harald Kelm
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-05-22
Related Molecule
  • N-[(5R,6R,6aR)-6-ethyl-3-methoxy-11-oxo-6,6a-dihydro-5H-isoindolo[2,1-a]quinolin-5-yl]benzamide
    • Field Value
    Measurement Technique high-resolution mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    168059117 PubChem
    The data in this table is sourced from UniChem at EBI.