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
2
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 209.3
[M+Na]+ 585.03017 218.5
[M-H]- 561.03367 196.0
[M+NH4]+ 580.07477 209.2
[M+K]+ 601.00411 214.2
[M+H-H2O]+ 545.03821 195.6
[M+HCOO]- 607.03915 200.7
[M+CH3COO]- 621.05480 238.7
[M+Na-2H]- 583.01562 209.9
[M]+ 562.04040 190.1
[M]- 562.04150 190.1
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