Dataset

high-resolution mass spectrometry (HRMS)

dataset for high-resolution mass spectrometry (HRMS)

Chemical Information

molecular Image
InChI InChI=1S/C28H29N3O4/c1-16-25(29-26(32)17-10-12-18(13-11-17)31(2)3)24-22(14-19(34-4)15-23(24)35-5)28(16)21-9-7-6-8-20(21)27(33)30-28/h6-16,25H,1-5H3,(H,29,32)(H,30,33)/t16-,25-,28+/m0/s1
SMILES COc1cc(OC)c2c(c1)[C@@]1(NC(=O)c3c1cccc3)[C@H]([C@@H]2NC(=O)c1ccc(cc1)N(C)C)C
InChI Key ABSKKDIQFQWBSP-XIPSWSLHSA-N
Molecular Formula C28H29N3O4
Exact Mass 471.548 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ABSKKDIQFQWBSP-XIPSWSLHSA-N/CHMO0000498
License URL
Source https://www.chemotion-repository.net/inchikey/ABSKKDIQFQWBSP-XIPSWSLHSA-N/CHMO0000498
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]-4-(dimethylamino)benzamide
    • Field Value
    Measurement Technique high-resolution mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.