CID 22214245

5-(tridecafluorohexyl)uridine

Structural Information

Molecular Formula
C15H11F13N2O6
SMILES
C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C15H11F13N2O6/c16-10(17,11(18,19)12(20,21)13(22,23)14(24,25)15(26,27)28)3-1-30(9(35)29-7(3)34)8-6(33)5(32)4(2-31)36-8/h1,4-6,8,31-33H,2H2,(H,29,34,35)/t4-,5-,6-,8-/m1/s1
InChIKey
KUGJPYIIQHQEJQ-UAKXSSHOSA-N
Compound name
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

562.04095 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 563.04823 183.4
[M+Na]+ 585.03017 182.8
[M+NH4]+ 580.07477 181.8
[M+K]+ 601.00411 182.7
[M-H]- 561.03367 178.8
[M+Na-2H]- 583.01562 181.2
[M]+ 562.04040 181.8
[M]- 562.04150 181.8
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

No patent data available for this compound.