Dataset

high-resolution mass spectrometry (HRMS)

dataset for high-resolution mass spectrometry (HRMS)

Chemical Info

molecular Image
InChI InChI=1S/C23H26N2O3/c1-13-19(24-22(27)23(2,3)4)17-12-14(28-5)10-11-18(17)25-20(13)15-8-6-7-9-16(15)21(25)26/h6-13,19-20H,1-5H3,(H,24,27)/t13-,19-,20-/m1/s1
SMILES COc1ccc2c(c1)[C@H](NC(=O)C(C)(C)C)[C@H]([C@H]1N2C(=O)c2c1cccc2)C
InChI Key ZUHSADHMQHGSEJ-SMHULIPUSA-N
Molecular Formula C23H26N2O3
Exact Mass 378.464 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ZUHSADHMQHGSEJ-SMHULIPUSA-N/CHMO0000498
License URL
Source https://www.chemotion-repository.net/inchikey/ZUHSADHMQHGSEJ-SMHULIPUSA-N/CHMO0000498
Version
Author Harald Kelm
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-05-22
Related Molecule
  • N-[(5R,6R,6aR)-3-methoxy-6-methyl-11-oxo-6,6a-dihydro-5H-isoindolo[2,1-a]quinolin-5-yl]-2,2-dimethylpropanamide
    • Field Value
    Measurement Technique high-resolution mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    168059119 PubChem
    The data in this table is sourced from UniChem at EBI.