Systematic / IUPAC Name: 1-[(4R,7S,8aS)-1-Oxo-4-(3-oxo-3-piperidin-1-ylpropyl)-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-7-yl]-3-phenylurea
ID: Reference10842
Other Names:
Urea, N-[(4R,7S,8aS)-octahydro-1-oxo-4-[3-oxo-3-(1-piperidinyl)propyl]pyrrolo[1,2-a]pyrazin-7-yl]-N'-phenyl-;
NAT23-380278
Formula: C22H31N5O3
1-{(4R,7S,8aS)-1-Oxo-4-[3-oxo-3-(1-piperidinyl)propyl]octahydropyrrolo[1,2-a]pyrazin-7-yl}-3-phenylurea 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 | 1130 |
Tandem Spectra | MS1, MS2, MS3, MS4 |
Ionization Methods | NSI |
Analyzers | FT |
Last Modification | 9/9/2021 9:00:28 AM |
InChI | InChI=1S/C22H31N5O3/c28-20(26-11-5-2-6-12-26)10-9-18-14-23-21(29)19-13-17(15-27(18)19)25-22(30)24-16-7-3-1-4-8-16/h1,3-4,7-8,17-19H,2,5-6,9-15H2,(H,23,29)(H2,24,25,30)/t17-,18+,19-/m0/s1 |
InChI Key | QCJUGTMWUURLJW-OTWHNJEPSA-N |
Canonical SMILES | C1CCN(CC1)C(=O)CCC2CNC(=O)C3N2CC(C3)NC(=O)NC4=CC=CC=C4 |
CAS | |
Splash | |
Other Names |
Urea, N-[(4R,7S,8aS)-octahydro-1-oxo-4-[3-oxo-3-(1-piperidinyl)propyl]pyrrolo[1,2-a]pyrazin-7-yl]-N'-phenyl-; NAT23-380278 |