1-(2,4-Difluorophenyl)-3-{(4R,7S,8aS)-4-[3-(2,3-dihydro-1H-indol-1-yl)-3-oxopropyl]-1-oxooctahydropyrrolo[1,2-a]pyrazin-7-yl}urea
12091
Reference
1-(2,4-Difluorophenyl)-3-{(4R,7S,8aS)-4-[3-(2,3-dihydro-1H-indol-1-yl)-3-oxopropyl]-1-oxooctahydropyrrolo[1,2-a]pyrazin-7-yl}urea Structure
Systematic / IUPAC Name: 1-[(4R,7S,8aS)-4-[3-(2,3-Dihydroindol-1-yl)-3-oxopropyl]-1-oxo-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-7-yl]-3-(2,4-difluorophenyl)urea
ID: Reference12091
Other Names: NAT23-379305
Formula: C25H27F2N5O3
Spectral Data
1-(2,4-Difluorophenyl)-3-{(4R,7S,8aS)-4-[3-(2,3-dihydro-1H-indol-1-yl)-3-oxopropyl]-1-oxooctahydropyrrolo[1,2-a]pyrazin-7-yl}urea 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 | 2985 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 1/5/2023 9:14:58 AM |
Identificators
| InChI | InChI=1S/C25H27F2N5O3/c26-16-5-7-20(19(27)11-16)30-25(35)29-17-12-22-24(34)28-13-18(32(22)14-17)6-8-23(33)31-10-9-15-3-1-2-4-21(15)31/h1-5,7,11,17-18,22H,6,8-10,12-14H2,(H,28,34)(H2,29,30,35)/t17-,18+,22-/m0/s1 |
| InChI Key | AVGMTYDVGXMYGH-SVMVAKDDSA-N |
| Canonical SMILES | C1CN(C2=CC=CC=C21)C(=O)CCC3CNC(=O)C4N3CC(C4)NC(=O)NC5=C(C=C(C=C5)F)F |
| CAS | |
| Splash | |
| Other Names | NAT23-379305 |