Dataset
high-resolution electrospray ionisation mass spectrometry (HRESIMS)
Chemical Info
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)25-26-27(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-c3nnn(c3COCCCc1oc2=O)Cc1ccccc1 |
InChI Key | QAIBZKCRJKJHGY-UHFFFAOYSA-N |
Molecular Formula | C23H18N4O3 |
Exact Mass | 398.414 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.14272/QAIBZKCRJKJHGY-UHFFFAOYSA-N/CHMO0000485 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/QAIBZKCRJKJHGY-UHFFFAOYSA-N/CHMO0000485 |
Version | |
Author | Irina Balova |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-08T01:04:15.233397 |
MetadataModified | 2024-09-08T01:04:15.233403 |
MetadataPublished | 2023-06-02 |
Field | Value |
---|---|
Measurement Technique | high-resolution electrospray ionisation mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
168301072 | PubChem |
The data in this table is sourced from UniChem at EBI. |