3-[(3S,3aR,6S,7aS)-3-{[4-(Dimethylamino)benzyl]amino}-6-hydroxy-1,1,6-trimethyloctahydro-3aH-inden-3a-yl]-N-(3-pyridinylmethyl)propanamide

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Systematic / IUPAC Name: 3-[(3S,3aR,6S,7aS)-3-[[4-(Dimethylamino)phenyl]methylamino]-6-hydroxy-1,1,6-trimethyl-2,3,4,5,7,7a-hexahydroinden-3a-yl]-N-(pyridin-3-ylmethyl)propanamide

ID: Reference9454

Other Names: 3aH-Indene-3a-propanamide, 3-[[[4-(dimethylamino)phenyl]methyl]amino]octahydro-6-hydroxy-1,1,6-trimethyl-N-(3-pyridinylmethyl)-, (3S,3aR,6S,7aS)-;
NAT24-392473

Formula: C30H44N4O2

Spectral Data

3-[(3S,3aR,6S,7aS)-3-{[4-(Dimethylamino)benzyl]amino}-6-hydroxy-1,1,6-trimethyloctahydro-3aH-inden-3a-yl]-N-(3-pyridinylmethyl)propanamide 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 160
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 3/5/2020 11:53:53 AM
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Identificators

InChI InChI=1S/C30H44N4O2/c1-28(2)18-26(32-20-22-8-10-24(11-9-22)34(4)5)30(15-14-29(3,36)17-25(28)30)13-12-27(35)33-21-23-7-6-16-31-19-23/h6-11,16,19,25-26,32,36H,12-15,17-18,20-21H2,1-5H3,(H,33,35)/t25-,26-,29-,30-/m0/s1
InChI Key ZMBNSMGNAGOMJJ-ATACATFBSA-N
Canonical SMILES CC1(CC(C2(C1CC(CC2)(C)O)CCC(=O)NCC3=CN=CC=C3)NCC4=CC=C(C=C4)N(C)C)C
CAS
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Other Names 3aH-Indene-3a-propanamide, 3-[[[4-(dimethylamino)phenyl]methyl]amino]octahydro-6-hydroxy-1,1,6-trimethyl-N-(3-pyridinylmethyl)-, (3S,3aR,6S,7aS)-;
NAT24-392473

In Other Databases

ChemSpider 21383533
PubChem 25318005