| SpectraBase Spectrum ID |
Hnmvt1GhwzI |
| Name |
3-cyano-1,1-difluoro-2-{[4-(4-methylpiperazin-1-yl)phenyl]imino}-1H,2H-2l5-[1,3,2]diazaborolo[3,4-a]quinolin-2-ylium-1-uide |
| Appearance |
Green powder |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H21BF2N6 |
| InChI |
InChI=1S/C22H21BF2N6/c1-28-12-14-29(15-13-28)19-9-7-18(8-10-19)27-31-22(16-26)21-11-6-17-4-2-3-5-20(17)30(21)23(31,24)25/h2-11H,12-15H2,1H3 |
| InChIKey |
REONEZPSQFOCHQ-UHFFFAOYSA-N |
| Instrument Name |
Shimadzu GCMS-QP2010Plus |
| Ionization Type |
EI |
| Molecular Weight |
418.259 g/mol |
| SMILES |
C=1([N+]([B-](F)(F)N2C1C=Cc1c2cccc1)=Nc1ccc(cc1)N1CCN(CC1)C)C#N |
| SPLASH |
splash10-056r-7090100000-5c727ae9e3e17f299297 |
| Sample Comments |
dr = 97:3 (trans/Cis) |
| Source of Spectrum |
WO2015031518A1 |
| Wiley ID |
1850536 |
![3-cyano-1,1-difluoro-2-{[4-(4-methylpiperazin-1-yl)phenyl]imino}-1H,2H-2l5-[1,3,2]diazaborolo[3,4-a]quinolin-2-ylium-1-uide](/api/spectrum/Hnmvt1GhwzI/structure.png?h=300&w=458 "3-cyano-1,1-difluoro-2-{[4-(4-methylpiperazin-1-yl)phenyl]imino}-1H,2H-2l5-[1,3,2]diazaborolo[3,4-a]quinolin-2-ylium-1-uide")
