Dataset
mass spectrometry (MS)
Chemical Info
InChI | InChI=1S/C22H19N/c1-18-11-13-20(14-12-18)17-23-22-10-6-5-9-21(22)16-15-19-7-3-2-4-8-19/h2-14,23H,17H2,1H3 |
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SMILES | Cc1ccc(cc1)CNc1ccccc1C#Cc1ccccc1 |
InChI Key | CMRJBHJXHQCUCH-UHFFFAOYSA-N |
Molecular Formula | C22H19N |
Exact Mass | 297.393 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.14272/CMRJBHJXHQCUCH-UHFFFAOYSA-N/CHMO0000470 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/CMRJBHJXHQCUCH-UHFFFAOYSA-N/CHMO0000470 |
Version | |
Author | Helena Šimek |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-07T03:19:38.238123 |
MetadataModified | 2024-09-07T18:11:01.036414 |
MetadataPublished | 2020-06-11 |
Field | Value |
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Measurement Technique | mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
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146170770 | PubChem |
The data in this table is sourced from UniChem at EBI. |