Dataset

high-resolution electrospray ionisation mass spectrometry (HRESIMS)

dataset for high-resolution electrospray ionisation mass spectrometry (HRESIMS)

Chemical Information

molecular Image
InChI InChI=1S/C23H18N4O3/c24-12-16-8-9-17-18(11-16)21-20(30-23(17)28)7-4-10-29-14-19-22(21)27(26-25-19)13-15-5-2-1-3-6-15/h1-3,5-6,8-9,11H,4,7,10,13-14H2
SMILES N#Cc1ccc2c(c1)c1-c3c(COCCCc1oc2=O)nnn3Cc1ccccc1
InChI Key OWPKAYOROURHTL-UHFFFAOYSA-N
Molecular Formula C23H18N4O3
Exact Mass 398.414 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/OWPKAYOROURHTL-UHFFFAOYSA-N/CHMO0000485
License URL
Source https://www.chemotion-repository.net/inchikey/OWPKAYOROURHTL-UHFFFAOYSA-N/CHMO0000485
Version
Author Irina Balova
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-06-02
Related Molecule
  • 3-benzyl-14-oxo-8,13-dioxa-3,4,5-triazatetracyclo[10.8.0.02,6.015,20]icosa-1(12),2(6),4,15(20),16,18-hexaene-18-carbonitrile
    • Field Value
    Measurement Technique high-resolution electrospray ionisation mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    168301083 PubChem
    The data in this table is sourced from UniChem at EBI.