Dataset

high-resolution mass spectrometry (HRMS)

dataset for high-resolution mass spectrometry (HRMS)

Chemical Information

molecular Image
InChI InChI=1S/C48H44N2/c1-29-25-45(47-27-31(3)43(23-35(47)7)39-13-17-49-18-14-39)33(5)21-41(29)37-9-11-38(12-10-37)42-22-34(6)46(26-30(42)2)48-28-32(4)44(24-36(48)8)40-15-19-50-20-16-40/h9-28H,1-8H3
SMILES Cc1cc(c(cc1c1ccc(cc1)c1cc(C)c(cc1C)c1cc(C)c(cc1C)c1ccncc1)C)c1cc(C)c(cc1C)c1ccncc1
InChI Key YXGCILBBCKSSTD-UHFFFAOYSA-N
Molecular Formula C48H44N2
Exact Mass 648.876 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/YXGCILBBCKSSTD-UHFFFAOYSA-N/CHMO0000498
License URL
Source https://www.chemotion-repository.net/inchikey/YXGCILBBCKSSTD-UHFFFAOYSA-N/CHMO0000498
Version
Author Sylvain Grosjean
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-08-06
Related Molecule
  • 4-[4-[4-[4-[4-(2,5-dimethyl-4-pyridin-4-ylphenyl)-2,5-dimethylphenyl]phenyl]-2,5-dimethylphenyl]-2,5-dimethylphenyl]pyridine
    • Field Value
    Measurement Technique high-resolution mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    146681764 PubChem
    The data in this table is sourced from UniChem at EBI.