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

enlarge

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

ID: Reference12271

Other Names: L-Iditol, 1,4:3,6-dianhydro-2,5-dideoxy-2-[[4-(3-fluorophenyl)-2-pyrimidinyl]amino]-5-[(phenylmethyl)amino]-;
NAT6-324335

Formula: C23H23FN4O2

Spectral Data

1,4:3,6-Dianhydro-2-(benzylamino)-2,5-dideoxy-5-{[4-(3-fluorophenyl)-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.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 1
No. of Spectra 1785
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 2/16/2023 4:03:08 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C23H23FN4O2/c24-17-8-4-7-16(11-17)18-9-10-25-23(27-18)28-20-14-30-21-19(13-29-22(20)21)26-12-15-5-2-1-3-6-15/h1-11,19-22,26H,12-14H2,(H,25,27,28)/t19-,20-,21+,22+/m0/s1
InChI Key QBIHJGZXJZZLCT-FNAHDJPLSA-N
Canonical SMILES C1C(C2C(O1)C(CO2)NC3=NC=CC(=N3)C4=CC(=CC=C4)F)NCC5=CC=CC=C5
CAS
Splash
Other Names L-Iditol, 1,4:3,6-dianhydro-2,5-dideoxy-2-[[4-(3-fluorophenyl)-2-pyrimidinyl]amino]-5-[(phenylmethyl)amino]-;
NAT6-324335

In Other Databases

PubChem 11913377
ChemSpider 10087700