Dataset
high-resolution electrospray ionisation time-of-flight mass spectrometry (HR-ESI-TOF-MS)
Chemical Information
| InChI | InChI=1S/2C16H23N5.BF4.Cu/c2*1-19(2)14-10-11-17-15-12(14)8-7-9-13(15)18-16(20(3)4)21(5)6;2-1(3,4)5;/h2*7-11H,1-6H3;;/q;;-1;+1 |
|---|---|
| SMILES | F[B-](F)(F)F.CN(C(=Nc1cccc2c1nccc2N(C)C)N(C)C)C.CN(C(=Nc1cccc2c1nccc2N(C)C)N(C)C)C.[Cu+] |
| InChI Key | JQDGMCVIMFXZEE-UHFFFAOYSA-N |
| Molecular Formula | C32H46BCuF4N10 |
| Exact Mass | 721.125 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | 10.14272/JQDGMCVIMFXZEE-UHFFFAOYSA-N/CHMO0002541 |
| License URL | |
| Source | https://www.chemotion-repository.net/inchikey/JQDGMCVIMFXZEE-UHFFFAOYSA-N/CHMO0002541 |
| Version | |
| Author | Alexander Hoffmann |
| Maintainer | Chemotion Repository |
| Language | english |
| MetadataPublished | 2022-03-05 |
| Related Molecule |
|
| Field | Value |
|---|---|
| Measurement Technique | high-resolution electrospray ionisation time-of-flight mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| 162640621 | PubChem |
| The data in this table is sourced from UniChem at EBI. | |