Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C21H23N3OS/c1-2-13-22-21(26)24-23-20(25)19-14-17-8-7-15-3-5-16(6-4-15)9-11-18(19)12-10-17/h2-6,10,12,14H,1,7-9,11,13H2,(H,23,25)(H2,22,24,26)
SMILES C=CCNC(=S)NNC(=O)c1cc2ccc1CCc1ccc(CC2)cc1
InChI Key MGWQWXRMOUQWNJ-UHFFFAOYSA-N
Molecular Formula C21H23N3OS
Exact Mass 365.492 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/MGWQWXRMOUQWNJ-UHFFFAOYSA-N/CHMO0000470.1
License URL
Source https://www.chemotion-repository.net/inchikey/MGWQWXRMOUQWNJ-UHFFFAOYSA-N/CHMO0000470.1
Version
Author Lamiaa Abdelhaleem
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-09-01
Related Molecule
  • 1-prop-2-enyl-3-(tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene-5-carbonylamino)thiourea
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    165112010 PubChem
    The data in this table is sourced from UniChem at EBI.