Dataset
electron ionisation mass spectrometry (EI-MS)
Chemical Info
InChI | InChI=1S/C25H22N2S2/c1-16-22(14-24(28-16)18-6-10-26-11-7-18)20-4-3-5-21(20)23-15-25(29-17(23)2)19-8-12-27-13-9-19/h6-15H,3-5H2,1-2H3 |
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SMILES | Cc1sc(cc1C1=C(CCC1)c1cc(sc1C)c1ccncc1)c1ccncc1 |
InChI Key | LLQAIDHAAXVYTF-UHFFFAOYSA-N |
Molecular Formula | C25H22N2S2 |
Exact Mass | 414.586 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.14272/LLQAIDHAAXVYTF-UHFFFAOYSA-N/CHMO0000480 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/LLQAIDHAAXVYTF-UHFFFAOYSA-N/CHMO0000480 |
Version | |
Author | Sylvain Grosjean |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-08T00:48:00.757175 |
MetadataModified | 2024-09-08T00:48:00.757181 |
MetadataPublished | 2023-03-23 |
Field | Value |
---|---|
Measurement Technique | electron ionisation mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
16222107 | PubChem: Thomson Pharma |
11144149 | PubChem |
CB63060939 | ChemicalBook |
BORZAL | CCDC |
J1.925.221C | Nikkaji |
The data in this table is sourced from UniChem at EBI. |