3-{[(1R,9S)-6-Oxo-5-(5-pyrimidinyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]methyl}benzonitrile
12229
Reference
3-{[(1R,9S)-6-Oxo-5-(5-pyrimidinyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]methyl}benzonitrile Structure
Systematic / IUPAC Name: 3-[[(1R,9S)-6-Oxo-5-pyrimidin-5-yl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]methyl]benzonitrile
ID: Reference12229
Other Names: NAT11-287018
Formula: C23H21N5O
Spectral Data
3-{[(1R,9S)-6-Oxo-5-(5-pyrimidinyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]methyl}benzonitrile mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Orbitrap Fusion Lumos with ETD LBP |
| No. of Spectral Trees | 1 |
| No. of Spectra | 1703 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 2/9/2023 8:54:46 PM |
Identificators
| InChI | InChI=1S/C23H21N5O/c24-8-16-2-1-3-17(6-16)11-27-12-18-7-19(14-27)22-5-4-21(23(29)28(22)13-18)20-9-25-15-26-10-20/h1-6,9-10,15,18-19H,7,11-14H2/t18-,19+/m0/s1 |
| InChI Key | UBKAMDZHJLRGBY-RBUKOAKNSA-N |
| Canonical SMILES | C1C2CN(CC1C3=CC=C(C(=O)N3C2)C4=CN=CN=C4)CC5=CC(=CC=C5)C#N |
| CAS | |
| Splash | |
| Other Names | NAT11-287018 |