Dataset

high resolution fast-atom bombardment mass spectrometry (HRFABMS)

dataset for high resolution fast-atom bombardment mass spectrometry (HRFABMS)

Chemical Information

molecular Image
InChI InChI=1S/C33H29N3O2/c1-19-16-22(29-32(35-33(3,4)5)36-15-9-8-12-27(36)34-29)17-20(2)28(19)21-13-14-25-26(18-21)31(38)24-11-7-6-10-23(24)30(25)37/h6-18,35H,1-5H3
SMILES Cc1cc(cc(c1c1ccc2c(c1)C(=O)c1c(C2=O)cccc1)C)c1nc2n(c1NC(C)(C)C)cccc2
InChI Key WTBOHQGVPKHSER-UHFFFAOYSA-N
Molecular Formula C33H29N3O2
Exact Mass 499.602 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/WTBOHQGVPKHSER-UHFFFAOYSA-N/CHMO0000726
License URL
Source https://www.chemotion-repository.net/inchikey/WTBOHQGVPKHSER-UHFFFAOYSA-N/CHMO0000726
Version
Author Mareen Stahlberger
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-10-02
Related Molecule
  • 2-[4-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]-2,6-dimethylphenyl]anthracene-9,10-dione
    • Field Value
    Measurement Technique high resolution fast-atom bombardment mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    168665441 PubChem
    The data in this table is sourced from UniChem at EBI.