1,4-Anhydro-2,5-dideoxy-2-[(4,4-difluorocyclohexyl)amino]-5-[(isopropylcarbamoyl)amino]-D-arabinitol

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Systematic / IUPAC Name: 1-[[(2R,3S,4R)-4-[(4,4-Difluorocyclohexyl)amino]-3-hydroxyoxolan-2-yl]methyl]-3-propan-2-ylurea

ID: Reference11590

Other Names: D-Arabinitol, 1,4-anhydro-2,5-dideoxy-2-[(4,4-difluorocyclohexyl)amino]-5-[[[(1-methylethyl)amino]carbonyl]amino]-;
NAT19-551713

Formula: C15H27F2N3O3

Spectral Data

1,4-Anhydro-2,5-dideoxy-2-[(4,4-difluorocyclohexyl)amino]-5-[(isopropylcarbamoyl)amino]-D-arabinitol 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 760
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 7/21/2022 8:57:36 AM
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Identificators

InChI InChI=1S/C15H27F2N3O3/c1-9(2)19-14(22)18-7-12-13(21)11(8-23-12)20-10-3-5-15(16,17)6-4-10/h9-13,20-21H,3-8H2,1-2H3,(H2,18,19,22)/t11-,12-,13+/m1/s1
InChI Key HBLLBWKHWWBADU-UPJWGTAASA-N
Canonical SMILES CC(C)NC(=O)NCC1C(C(CO1)NC2CCC(CC2)(F)F)O
CAS
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Other Names D-Arabinitol, 1,4-anhydro-2,5-dideoxy-2-[(4,4-difluorocyclohexyl)amino]-5-[[[(1-methylethyl)amino]carbonyl]amino]-;
NAT19-551713

In Other Databases

ChemSpider 29858643
PubChem 75536726