Dataset

high-resolution mass spectrometry (HRMS)

dataset for high-resolution mass spectrometry (HRMS)

Chemical Info

molecular Image
InChI InChI=1S/C25H22N2O2/c1-15-12-13-21-20(14-15)22(26-24(28)17-8-4-3-5-9-17)16(2)23-18-10-6-7-11-19(18)25(29)27(21)23/h3-14,16,22-23H,1-2H3,(H,26,28)/t16-,22-,23-/m1/s1
SMILES Cc1ccc2c(c1)[C@H](NC(=O)c1ccccc1)[C@H]([C@H]1N2C(=O)c2c1cccc2)C
InChI Key BQMXHIRXMSGDCD-ZGNKEGEESA-N
Molecular Formula C25H22N2O2
Exact Mass 382.454 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/BQMXHIRXMSGDCD-ZGNKEGEESA-N/CHMO0000498
License URL
Source https://www.chemotion-repository.net/inchikey/BQMXHIRXMSGDCD-ZGNKEGEESA-N/CHMO0000498
Version
Author Harald Kelm
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-05-22
Related Molecule
  • N-[(5R,6R,6aR)-3,6-dimethyl-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
    168059114 PubChem
    The data in this table is sourced from UniChem at EBI.