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

enlarge

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

ID: Reference12268

Other Names: L-Iditol, 1,4:3,6-dianhydro-2,5-dideoxy-2-[[4-(2-furanyl)-2-pyrimidinyl]amino]-5-[[4-(trifluoromethyl)benzoyl]amino]-;
NAT6-320230

Formula: C22H19F3N4O4

Spectral Data

1,4:3,6-Dianhydro-2,5-dideoxy-2-{[4-(2-furyl)-2-pyrimidinyl]amino}-5-{[4-(trifluoromethyl)benzoyl]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 1320
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 2/16/2023 3:57:53 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C22H19F3N4O4/c23-22(24,25)13-5-3-12(4-6-13)20(30)27-15-10-32-19-16(11-33-18(15)19)29-21-26-8-7-14(28-21)17-2-1-9-31-17/h1-9,15-16,18-19H,10-11H2,(H,27,30)(H,26,28,29)/t15-,16-,18+,19+/m0/s1
InChI Key PHOGCPBXZKDIFV-RNIPGJKVSA-N
Canonical SMILES C1C(C2C(O1)C(CO2)NC(=O)C3=CC=C(C=C3)C(F)(F)F)NC4=NC=CC(=N4)C5=CC=CO5
CAS
Splash
Other Names L-Iditol, 1,4:3,6-dianhydro-2,5-dideoxy-2-[[4-(2-furanyl)-2-pyrimidinyl]amino]-5-[[4-(trifluoromethyl)benzoyl]amino]-;
NAT6-320230

In Other Databases

PubChem 11912971
ChemSpider 10087294