4-{[(4aR,7aS)-3-Oxo-4-(3-pyridinylmethyl)hexahydropyrrolo[3,4-b][1,4]oxazin-6(2H)-yl]methyl}benzoic acid
10753
Reference
4-{[(4aR,7aS)-3-Oxo-4-(3-pyridinylmethyl)hexahydropyrrolo[3,4-b][1,4]oxazin-6(2H)-yl]methyl}benzoic acid Structure
Systematic / IUPAC Name: 4-[[(4aR,7aS)-3-Oxo-4-(pyridin-3-ylmethyl)-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-6-yl]methyl]benzoic acid
ID: Reference10753
Other Names: NAT37-483287
Formula: C20H21N3O4
Spectral Data
4-{[(4aR,7aS)-3-Oxo-4-(3-pyridinylmethyl)hexahydropyrrolo[3,4-b][1,4]oxazin-6(2H)-yl]methyl}benzoic 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 | 1 |
| No. of Spectra | 1120 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 8/13/2021 5:57:39 AM |
Identificators
| InChI | InChI=1S/C20H21N3O4/c24-19-13-27-18-12-22(9-14-3-5-16(6-4-14)20(25)26)11-17(18)23(19)10-15-2-1-7-21-8-15/h1-8,17-18H,9-13H2,(H,25,26)/t17-,18+/m1/s1 |
| InChI Key | ZSSCTXFANCBQTA-MSOLQXFVSA-N |
| Canonical SMILES | C1C2C(CN1CC3=CC=C(C=C3)C(=O)O)OCC(=O)N2CC4=CN=CC=C4 |
| CAS | |
| Splash | |
| Other Names | NAT37-483287 |