CID 454479

2',3'-dideoxy-3'-fluoro-5-(morpholinomethyl)uridine

Structural Information

Molecular Formula
C14H20FN3O5
SMILES
C1COCCN1CC2=CN(C(=O)NC2=O)[C@H]3C[C@@H]([C@H](O3)CO)F
InChI
InChI=1S/C14H20FN3O5/c15-10-5-12(23-11(10)8-19)18-7-9(13(20)16-14(18)21)6-17-1-3-22-4-2-17/h7,10-12,19H,1-6,8H2,(H,16,20,21)/t10-,11+,12+/m0/s1
InChIKey
NPDOCRKVHOMQAE-QJPTWQEYSA-N
Compound name
1-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)oxolan-2-yl]-5-(morpholin-4-ylmethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.1387 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.14598 175.4
[M+Na]+ 352.12792 182.1
[M-H]- 328.13142 178.4
[M+NH4]+ 347.17252 182.7
[M+K]+ 368.10186 179.4
[M+H-H2O]+ 312.13596 165.3
[M+HCOO]- 374.13690 185.9
[M+CH3COO]- 388.15255 201.8
[M+Na-2H]- 350.11337 173.9
[M]+ 329.13815 171.4
[M]- 329.13925 171.4
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.