Systematic / IUPAC Name: (1R,9S)-5-[2-[(Dimethylamino)methyl]phenyl]-11-(4-fluorobenzoyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
ID: Reference13228
Other Names: NAT11-284947
Formula: C27H28FN3O2
(1R,9S)-5-{2-[(Dimethylamino)methyl]phenyl}-11-(4-fluorobenzoyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Used Instruments | Orbitrap Fusion Lumos with ETD LBP |
No. of Spectral Trees | 1 |
No. of Spectra | 465 |
Tandem Spectra | MS1, MS2, MS3, MS4 |
Ionization Methods | NSI |
Analyzers | FT |
Last Modification | 7/19/2024 8:01:15 AM |
InChI | InChI=1S/C27H28FN3O2/c1-29(2)16-20-5-3-4-6-23(20)24-11-12-25-21-13-18(15-31(25)27(24)33)14-30(17-21)26(32)19-7-9-22(28)10-8-19/h3-12,18,21H,13-17H2,1-2H3/t18-,21+/m0/s1 |
InChI Key | LQGZCLBYELIKBS-GHTZIAJQSA-N |
Canonical SMILES | CN(C)CC1=CC=CC=C1C2=CC=C3C4CC(CN(C4)C(=O)C5=CC=C(C=C5)F)CN3C2=O |
CAS | |
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Other Names | NAT11-284947 |