Dataset
high-resolution electrospray ionisation time-of-flight mass spectrometry (HR-ESI-TOF-MS)
Chemical Info
InChI | InChI=1S/C23H38N8.2BrH.Cu/c1-27(2)21-9-11-24-19(15-21)17-31(14-13-26-23(29(5)6)30(7)8)18-20-16-22(28(3)4)10-12-25-20;;;/h9-12,15-16H,13-14,17-18H2,1-8H3;2*1H;/q;;;+2/p-2 |
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SMILES | CN(c1ccnc(c1)CN(Cc1nccc(c1)N(C)C)CCN=C(N(C)C)N(C)C)C.[Cu+2].[Br-].[Br-] |
InChI Key | NWKNMQBGGXJLGW-UHFFFAOYSA-L |
Molecular Formula | C23H38Br2CuN8 |
Exact Mass | 649.955 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | 10.14272/NWKNMQBGGXJLGW-UHFFFAOYSA-L/CHMO0002541 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/NWKNMQBGGXJLGW-UHFFFAOYSA-L/CHMO0002541 |
Version | |
Author | Alexander Hoffmann |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-08T01:59:18.527428 |
MetadataModified | 2024-09-08T01:59:18.527432 |
MetadataPublished | 2023-11-21 |
Field | Value |
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Measurement Technique | high-resolution electrospray ionisation time-of-flight mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
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169422765 | PubChem |
The data in this table is sourced from UniChem at EBI. |