1-{(4R,7S,8aS)-1-Oxo-4-[3-oxo-3-(1-piperidinyl)propyl]octahydropyrrolo[1,2-a]pyrazin-7-yl}-3-phenylurea

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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

Spectral Data

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.

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Available MS Data

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
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Identificators

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
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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

In Other Databases

PubChem 26762949
ChemSpider 21382823