1,4:3,6-Dianhydro-2,5-dideoxy-2-[(2,2-dimethylpropanoyl)amino]-5-{[4-(4-methoxyphenyl)-2-pyrimidinyl]amino}-L-iditol

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Systematic / IUPAC Name: N-[(3S,3aR,6S,6aR)-3-[[4-(4-Methoxyphenyl)pyrimidin-2-yl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2,2-dimethylpropanamide

ID: Reference10928

Other Names: L-Iditol, 1,4:3,6-dianhydro-2,5-dideoxy-2-[(2,2-dimethyl-1-oxopropyl)amino]-5-[[4-(4-methoxyphenyl)-2-pyrimidinyl]amino]-;
NAT6-321288

Formula: C22H28N4O4

Spectral Data

1,4:3,6-Dianhydro-2,5-dideoxy-2-[(2,2-dimethylpropanoyl)amino]-5-{[4-(4-methoxyphenyl)-2-pyrimidinyl]amino}-L-iditol 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 1985
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 10/8/2021 9:47:24 AM
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Identificators

InChI InChI=1S/C22H28N4O4/c1-22(2,3)20(27)24-16-11-29-19-17(12-30-18(16)19)26-21-23-10-9-15(25-21)13-5-7-14(28-4)8-6-13/h5-10,16-19H,11-12H2,1-4H3,(H,24,27)(H,23,25,26)/t16-,17-,18+,19+/m0/s1
InChI Key DTXZDAPJYULVFH-INDMIFKZSA-N
Canonical SMILES CC(C)(C)C(=O)NC1COC2C1OCC2NC3=NC=CC(=N3)C4=CC=C(C=C4)OC
CAS
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Other Names L-Iditol, 1,4:3,6-dianhydro-2,5-dideoxy-2-[(2,2-dimethyl-1-oxopropyl)amino]-5-[[4-(4-methoxyphenyl)-2-pyrimidinyl]amino]-;
NAT6-321288

In Other Databases

ChemSpider 10087143
PubChem 11912820