Dataset

high-resolution electrospray ionisation mass spectrometry (HRESIMS)

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

Chemical Information

molecular Image
InChI InChI=1S/C24H21N3O5/c1-30-23(28)16-9-10-17-18(12-16)21-20(32-24(17)29)8-5-11-31-14-19-22(21)27(26-25-19)13-15-6-3-2-4-7-15/h2-4,6-7,9-10,12H,5,8,11,13-14H2,1H3
SMILES COC(=O)c1ccc2c(c1)c1-c3c(COCCCc1oc2=O)nnn3Cc1ccccc1
InChI Key VIWGICYKZBEOTD-UHFFFAOYSA-N
Molecular Formula C24H21N3O5
Exact Mass 431.441 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/VIWGICYKZBEOTD-UHFFFAOYSA-N/CHMO0000485
License URL
Source https://www.chemotion-repository.net/inchikey/VIWGICYKZBEOTD-UHFFFAOYSA-N/CHMO0000485
Version
Author Stefan Bräse
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-02-16
Related Molecule
  • methyl 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-carboxylate
    • Field Value
    Measurement Technique high-resolution electrospray ionisation mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    166625043 PubChem
    The data in this table is sourced from UniChem at EBI.