2-[(16R,17S)-8-{[2-(Dimethylamino)ethyl](methyl)amino}-2-oxo-12-oxa-1,4-diazatricyclo[14.3.1.06,11]icosa-6,8,10-trien-17-yl]-N-(2-pyridinylmethyl)acetamide

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Systematic / IUPAC Name: 2-[(16R,17S)-8-[2-(Dimethylamino)ethyl-methylamino]-2-oxo-12-oxa-1,4-diazatricyclo[14.3.1.06,11]icosa-6(11),7,9-trien-17-yl]-N-(pyridin-2-ylmethyl)acetamide

ID: Reference12999

Other Names: MC14-529689

Formula: C30H44N6O3

Spectral Data

2-[(16R,17S)-8-{[2-(Dimethylamino)ethyl](methyl)amino}-2-oxo-12-oxa-1,4-diazatricyclo[14.3.1.06,11]icosa-6,8,10-trien-17-yl]-N-(2-pyridinylmethyl)acetamide 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 1322
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 2/8/2024 10:51:12 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C30H44N6O3/c1-34(2)14-15-35(3)27-9-10-28-25(17-27)19-31-21-30(38)36-13-11-23(24(22-36)7-6-16-39-28)18-29(37)33-20-26-8-4-5-12-32-26/h4-5,8-10,12,17,23-24,31H,6-7,11,13-16,18-22H2,1-3H3,(H,33,37)/t23-,24-/m0/s1
InChI Key BAXIFDGXJBUKGF-ZEQRLZLVSA-N
Canonical SMILES CN(C)CCN(C)C1=CC2=C(C=C1)OCCCC3CN(CCC3CC(=O)NCC4=CC=CC=N4)C(=O)CNC2
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Other Names MC14-529689

In Other Databases

PubChem 95790522
ChemSpider 72446035