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

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

ID: Reference11492

Other Names: L-Iditol, 1,4:3,6-dianhydro-2,5-dideoxy-2-[[4-(3-fluorophenyl)-2-pyrimidinyl]amino]-5-[(3-phenylpropyl)amino]-;
NAT6-324342

Formula: C25H27FN4O2

Spectral Data

1,4:3,6-Dianhydro-2,5-dideoxy-2-{[4-(3-fluorophenyl)-2-pyrimidinyl]amino}-5-[(3-phenylpropyl)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 2238
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 6/23/2022 8:31:56 AM
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Identificators

InChI InChI=1S/C25H27FN4O2/c26-19-10-4-9-18(14-19)20-11-13-28-25(29-20)30-22-16-32-23-21(15-31-24(22)23)27-12-5-8-17-6-2-1-3-7-17/h1-4,6-7,9-11,13-14,21-24,27H,5,8,12,15-16H2,(H,28,29,30)/t21-,22-,23+,24+/m0/s1
InChI Key UXSITIAPEVMRHB-CJRSTVEYSA-N
Canonical SMILES C1C(C2C(O1)C(CO2)NC3=NC=CC(=N3)C4=CC(=CC=C4)F)NCCCC5=CC=CC=C5
CAS
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Other Names L-Iditol, 1,4:3,6-dianhydro-2,5-dideoxy-2-[[4-(3-fluorophenyl)-2-pyrimidinyl]amino]-5-[(3-phenylpropyl)amino]-;
NAT6-324342

In Other Databases

ChemSpider 10087704
PubChem 11913381