Dataset
fast-atom bombardment mass spectrometry (FABMS)
Chemical Information
| InChI | InChI=1S/C36H27BrN4/c1-36(2)29-15-9-10-16-31(29)41(32-22-19-27(37)23-30(32)36)28-20-17-26(18-21-28)35-39-33(24-11-5-3-6-12-24)38-34(40-35)25-13-7-4-8-14-25/h3-23H,1-2H3 |
|---|---|
| SMILES | Brc1ccc2c(c1)C(C)(C)c1c(N2c2ccc(cc2)c2nc(nc(n2)c2ccccc2)c2ccccc2)cccc1 |
| InChI Key | QDIRQRCGOTXLOJ-UHFFFAOYSA-N |
| Molecular Formula | C36H27BrN4 |
| Exact Mass | 595.530 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | 10.14272/QDIRQRCGOTXLOJ-UHFFFAOYSA-N/CHMO0000563 |
| License URL | |
| Source | https://www.chemotion-repository.net/inchikey/QDIRQRCGOTXLOJ-UHFFFAOYSA-N/CHMO0000563 |
| Version | |
| Author | Henrik Tappert |
| Maintainer | Chemotion Repository |
| Language | english |
| MetadataPublished | 2025-04-22 |
| Related Molecule |
|
| Field | Value |
|---|---|
| Measurement Technique | fast-atom bombardment mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| No additional information available for this Dataset. | |