Dataset

high-resolution mass spectrometry (HRMS)

dataset for high-resolution mass spectrometry (HRMS)

Chemical Information

molecular Image
InChI InChI=1S/C24H20N6O4/c1-33-23(31)17-7-9-21(19(11-17)13-27-29-25)15-3-5-16(6-4-15)22-10-8-18(24(32)34-2)12-20(22)14-28-30-26/h3-12H,13-14H2,1-2H3
SMILES [N-]=[N+]=NCc1cc(ccc1c1ccc(cc1)c1ccc(cc1CN=[N+]=[N-])C(=O)OC)C(=O)OC
InChI Key WIKMLBBPTJCTJL-UHFFFAOYSA-N
Molecular Formula C24H20N6O4
Exact Mass 456.453 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/WIKMLBBPTJCTJL-UHFFFAOYSA-N/CHMO0000498
License URL
Source https://www.chemotion-repository.net/inchikey/WIKMLBBPTJCTJL-UHFFFAOYSA-N/CHMO0000498
Version
Author Sylvain Grosjean
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-08-08
Related Molecule
  • methyl 3-(azidomethyl)-4-[4-[2-(azidomethyl)-4-methoxycarbonylphenyl]phenyl]benzoate
    • Field Value
    Measurement Technique high-resolution mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    146681774 PubChem
    The data in this table is sourced from UniChem at EBI.