{2-[(1R,9S)-3-(3-Cyanophenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]-2-oxoethoxy}acetic acid
13226
Reference
{2-[(1R,9S)-3-(3-Cyanophenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]-2-oxoethoxy}acetic acid Structure
Systematic / IUPAC Name: 2-[2-[(1R,9S)-3-(3-Cyanophenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]-2-oxoethoxy]acetic acid
ID: Reference13226
Other Names: NAT11-289243
Formula: C22H21N3O5
Spectral Data
{2-[(1R,9S)-3-(3-Cyanophenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]-2-oxoethoxy}acetic acid 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 | 2 |
| No. of Spectra | 1350 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 7/19/2024 7:51:21 AM |
Identificators
| InChI | InChI=1S/C22H21N3O5/c23-8-14-2-1-3-16(6-14)18-4-5-19(26)25-10-15-7-17(22(18)25)11-24(9-15)20(27)12-30-13-21(28)29/h1-6,15,17H,7,9-13H2,(H,28,29)/t15-,17+/m0/s1 |
| InChI Key | ONVZSOMIESEJEZ-DOTOQJQBSA-N |
| Canonical SMILES | C1C2CN(CC1C3=C(C=CC(=O)N3C2)C4=CC=CC(=C4)C#N)C(=O)COCC(=O)O |
| CAS | |
| Splash | |
| Other Names | NAT11-289243 |