Dataset
high-resolution electrospray ionisation time-of-flight mass spectrometry (HR-ESI-TOF-MS)
Chemical Info
InChI | InChI=1S/C21H48N10.2BrH.Cu/c1-25(2)19(26(3)4)22-13-16-31(17-14-23-20(27(5)6)28(7)8)18-15-24-21(29(9)10)30(11)12;;;/h13-18H2,1-12H3;2*1H;/q;;;+2/p-2 |
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SMILES | CN(C(=NCCN(CCN=C(N(C)C)N(C)C)CCN=C(N(C)C)N(C)C)N(C)C)C.[Cu+2].[Br-].[Br-] |
InChI Key | PIQUIJJCADCIDM-UHFFFAOYSA-L |
Molecular Formula | C21H48Br2CuN10 |
Exact Mass | 664.027 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | 10.14272/PIQUIJJCADCIDM-UHFFFAOYSA-L/CHMO0002541 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/PIQUIJJCADCIDM-UHFFFAOYSA-L/CHMO0002541 |
Version | |
Author | Alexander Hoffmann |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-08T01:59:03.466974 |
MetadataModified | 2024-09-08T01:59:03.467011 |
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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169422766 | PubChem |
The data in this table is sourced from UniChem at EBI. |