(16R,17S)-8-(4-Morpholinyl)-17-[2-(4-morpholinyl)-2-oxoethyl]-12-oxa-1,4-diazatricyclo[14.3.1.06,11]icosa-6,8,10-trien-2-one

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Systematic / IUPAC Name: (16R,17S)-8-Morpholin-4-yl-17-(2-morpholin-4-yl-2-oxoethyl)-12-oxa-1,4-diazatricyclo[14.3.1.06,11]icosa-6(11),7,9-trien-2-one

ID: Reference10070

Other Names: 2H-5,9-Methano-1,9,12-benzoxadiazacyclopentadecin-10(11H)-one, 3,4,5,6,7,8,12,13-octahydro-15-(4-morpholinyl)-6-[2-(4-morpholinyl)-2-oxoethyl]-, (5R,6S)-;
MC14-529379

Formula: C27H40N4O5

Spectral Data

(16R,17S)-8-(4-Morpholinyl)-17-[2-(4-morpholinyl)-2-oxoethyl]-12-oxa-1,4-diazatricyclo[14.3.1.06,11]icosa-6,8,10-trien-2-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 1
No. of Spectra 2200
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 11/13/2020 12:34:03 PM
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Identificators

InChI InChI=1S/C27H40N4O5/c32-26(30-9-14-35-15-10-30)17-21-5-6-31-20-22(21)2-1-11-36-25-4-3-24(29-7-12-34-13-8-29)16-23(25)18-28-19-27(31)33/h3-4,16,21-22,28H,1-2,5-15,17-20H2/t21-,22-/m0/s1
InChI Key BIPMXAPKTIULTH-VXKWHMMOSA-N
Canonical SMILES C1CC2CN(CCC2CC(=O)N3CCOCC3)C(=O)CNCC4=C(C=CC(=C4)N5CCOCC5)OC1
CAS
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Other Names 2H-5,9-Methano-1,9,12-benzoxadiazacyclopentadecin-10(11H)-one, 3,4,5,6,7,8,12,13-octahydro-15-(4-morpholinyl)-6-[2-(4-morpholinyl)-2-oxoethyl]-, (5R,6S)-;
MC14-529379

In Other Databases

PubChem 56776079
ChemSpider 64875119