CID 90486490

2'-deoxy-5-(heptafluoropropyl)uridine

Structural Information

Molecular Formula
C12H11F7N2O5
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C(C(C(F)(F)F)(F)F)(F)F)CO)O
InChI
InChI=1S/C12H11F7N2O5/c13-10(14,11(15,16)12(17,18)19)4-2-21(9(25)20-8(4)24)7-1-5(23)6(3-22)26-7/h2,5-7,22-23H,1,3H2,(H,20,24,25)/t5-,6+,7+/m0/s1
InChIKey
RUBJGSLXONDMLG-RRKCRQDMSA-N
Compound name
5-(1,1,2,2,3,3,3-heptafluoropropyl)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

396.05563 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.06291 193.4
[M+Na]+ 419.04485 194.7
[M+NH4]+ 414.08945 191.5
[M+K]+ 435.01879 194.7
[M-H]- 395.04835 184.6
[M+Na-2H]- 417.03030 189.5
[M]+ 396.05508 190.4
[M]- 396.05618 190.4
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