(2S,5aS,8aR)-6-(1H-Imidazol-2-ylmethyl)-1-methyl-2-[3-(4-morpholinyl)-3-oxopropyl]octahydropyrrolo[3,2-E][1,4]diazepin-5(2H)-one

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Systematic / IUPAC Name: (2S,5aS,8aR)-6-(1H-Imidazol-2-ylmethyl)-1-methyl-2-(3-morpholin-4-yl-3-oxopropyl)-3,4,5a,7,8,8a-hexahydro-2H-pyrrolo[3,2-E][1,4]diazepin-5-one

ID: Reference10281

Other Names: Pyrrolo[3,2-E]-1,4-diazepin-5(2H)-one, octahydro-6-(1H-imidazol-2-ylmethyl)-1-methyl-2-[3-(4-morpholinyl)-3-oxopropyl]-, (2S,5aS,8aR)-;
NAT23-391154

Formula: C19H30N6O3

Spectral Data

(2S,5aS,8aR)-6-(1H-Imidazol-2-ylmethyl)-1-methyl-2-[3-(4-morpholinyl)-3-oxopropyl]octahydropyrrolo[3,2-E][1,4]diazepin-5(2H)-one 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 2
No. of Spectra 4828
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 3/5/2021 9:15:17 AM
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Identificators

InChI InChI=1S/C19H30N6O3/c1-23-14(2-3-17(26)24-8-10-28-11-9-24)12-22-19(27)18-15(23)4-7-25(18)13-16-20-5-6-21-16/h5-6,14-15,18H,2-4,7-13H2,1H3,(H,20,21)(H,22,27)/t14-,15+,18-/m0/s1
InChI Key XYJQPRITTJVREG-DAYGRLMNSA-N
Canonical SMILES CN1C2CCN(C2C(=O)NCC1CCC(=O)N3CCOCC3)CC4=NC=CN4
CAS
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Other Names Pyrrolo[3,2-E]-1,4-diazepin-5(2H)-one, octahydro-6-(1H-imidazol-2-ylmethyl)-1-methyl-2-[3-(4-morpholinyl)-3-oxopropyl]-, (2S,5aS,8aR)-;
NAT23-391154

In Other Databases

ChemSpider 21383247
PubChem 45361082