Dataset
mass spectrometry (MS)
Chemical Info
InChI | InChI=1S/C15H11NO2/c17-14-12-8-4-5-9-13(12)15(18)16(14)10-11-6-2-1-3-7-11/h1-9H,10H2 |
---|---|
SMILES | O=C1N(Cc2ccccc2)C(=O)c2c1cccc2 |
InChI Key | WITXFYCLPDFRNM-UHFFFAOYSA-N |
Molecular Formula | C15H11NO2 |
Exact Mass | 237.253 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.14272/WITXFYCLPDFRNM-UHFFFAOYSA-N/CHMO0000470 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/WITXFYCLPDFRNM-UHFFFAOYSA-N/CHMO0000470 |
Version | |
Author | Isabelle Wessely |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-07T02:44:43.388102 |
MetadataModified | 2024-09-07T17:23:49.753143 |
MetadataPublished | 2020-03-22 |
Field | Value |
---|---|
Measurement Technique | mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
MCULE-6634249322 | Mcule |
3G2A77460J | FDA SRS |
SCHEMBL326305 | SureChEMBL |
75059 | PubChem |
14847355 | PubChem: Thomson Pharma |
2142-01-0 | ACToR |
505088 | eMolecules |
C14263 | KEGG Ligand |
CHEMBL416887 | ChEMBL |
20200024 | NMRShiftDB |
CB1272626 | ChemicalBook |
34866 | ChEBI |
DTXSID4036647 | EPA CompTox Dashboard |
50088671 | BindingDB |
J149.454F | Nikkaji |
FOLBUE | CCDC |
ZINC000000096893 | ZINC |
The data in this table is sourced from UniChem at EBI. |