Dataset

atmospheric pressure chemical ionisation mass spectrometry (APCI MS)

dataset for atmospheric pressure chemical ionisation mass spectrometry (APCI MS)

Chemical Information

molecular Image
InChI InChI=1S/C22H24N2O4/c1-5-18(25)23-20-12(2)22(15-9-7-6-8-14(15)21(26)24-22)16-10-13(27-3)11-17(28-4)19(16)20/h6-12,20H,5H2,1-4H3,(H,23,25)(H,24,26)/t12-,20-,22+/m0/s1
SMILES CCC(=O)N[C@@H]1c2c(OC)cc(cc2[C@]2([C@H]1C)NC(=O)c1c2cccc1)OC
InChI Key VBWHPRBMTJBBBQ-ZDHDXASZSA-N
Molecular Formula C22H24N2O4
Exact Mass 380.437 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/VBWHPRBMTJBBBQ-ZDHDXASZSA-N/CHMO0000473
License URL
Source https://www.chemotion-repository.net/inchikey/VBWHPRBMTJBBBQ-ZDHDXASZSA-N/CHMO0000473
Version
Author Georg Manolikakes
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-11-13
Related Molecule
  • N-[(1S,2S,3S)-5,7-dimethoxy-2-methyl-3'-oxospiro[1,2-dihydroindene-3,1'-2H-isoindole]-1-yl]propanamide
    • Field Value
    Measurement Technique atmospheric pressure chemical ionisation mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.