CID 22846686

2'-deoxy-5-(nonafluorobutyl)uridine

Structural Information

Molecular Formula
C13H11F9N2O5
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)CO)O
InChI
InChI=1S/C13H11F9N2O5/c14-10(15,11(16,17)12(18,19)13(20,21)22)4-2-24(9(28)23-8(4)27)7-1-5(26)6(3-25)29-7/h2,5-7,25-26H,1,3H2,(H,23,27,28)/t5-,6+,7+/m0/s1
InChIKey
JTJAXTDUPYESRS-RRKCRQDMSA-N
Compound name
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

446.05243 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.05971 197.6
[M+Na]+ 469.04165 197.6
[M+NH4]+ 464.08625 195.3
[M+K]+ 485.01559 197.1
[M-H]- 445.04515 189.4
[M+Na-2H]- 467.02710 193.5
[M]+ 446.05188 194.7
[M]- 446.05298 194.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe