Dataset

electron ionisation mass spectrometry (EI-MS)

dataset for electron ionisation mass spectrometry (EI-MS)

Chemical Information

molecular Image
InChI InChI=1S/C36H28N4/c1-36(2)29-17-9-11-19-31(29)40(32-20-12-10-18-30(32)36)28-23-21-27(22-24-28)35-38-33(25-13-5-3-6-14-25)37-34(39-35)26-15-7-4-8-16-26/h3-24H,1-2H3
SMILES CC1(C)c2ccccc2N(c2c1cccc2)c1ccc(cc1)c1nc(nc(n1)c1ccccc1)c1ccccc1
InChI Key IVXBGKPGZOETEW-UHFFFAOYSA-N
Molecular Formula C36H28N4
Exact Mass 516.634 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/IVXBGKPGZOETEW-UHFFFAOYSA-N/CHMO0000480
License URL
Source https://www.chemotion-repository.net/inchikey/IVXBGKPGZOETEW-UHFFFAOYSA-N/CHMO0000480
Version
Author Henrik Tappert
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-04-22
Related Molecule
  • 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethylacridine
    • Field Value
    Measurement Technique electron ionisation mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DEFGEE CCDC
    SCHEMBL17278546 SureChEMBL
    CB73309079 ChemicalBook
    118528399 PubChem
    J3.541.545I Nikkaji
    The data in this table is sourced from UniChem at EBI.