CID 453024

2',3'-f-arabino nucleoside

Structural Information

Molecular Formula
C17H16F2N2O5
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2[C@H]([C@@H]([C@H](O2)COC(=O)C3=CC=CC=C3)F)F
InChI
InChI=1S/C17H16F2N2O5/c1-9-7-21(17(24)20-14(9)22)15-13(19)12(18)11(26-15)8-25-16(23)10-5-3-2-4-6-10/h2-7,11-13,15H,8H2,1H3,(H,20,22,24)/t11-,12-,13+,15-/m1/s1
InChIKey
BQAZBEVMDFZUOP-GUIRCDHDSA-N
Compound name
[(2R,3R,4R,5R)-3,4-difluoro-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

366.10272 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.11000 180.1
[M+Na]+ 389.09194 189.7
[M-H]- 365.09544 185.1
[M+NH4]+ 384.13654 189.6
[M+K]+ 405.06588 185.7
[M+H-H2O]+ 349.09998 169.4
[M+HCOO]- 411.10092 195.9
[M+CH3COO]- 425.11657 212.0
[M+Na-2H]- 387.07739 178.0
[M]+ 366.10217 180.0
[M]- 366.10327 180.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.