CID 481518

Schembl7457731

Structural Information

Molecular Formula
C11H11FN2O5
SMILES
C#C[C@]1([C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)F)O)CO
InChI
InChI=1S/C11H11FN2O5/c1-2-11(5-15)7(16)3-8(19-11)14-4-6(12)9(17)13-10(14)18/h1,4,7-8,15-16H,3,5H2,(H,13,17,18)/t7-,8+,11+/m0/s1
InChIKey
MHWLGEGZFMYHPW-VAOFZXAKSA-N
Compound name
1-[(2R,4S,5R)-5-ethynyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoropyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

9
Patents

270.0652 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.07248 151.3
[M+Na]+ 293.05442 163.4
[M-H]- 269.05792 149.8
[M+NH4]+ 288.09902 163.8
[M+K]+ 309.02836 158.5
[M+H-H2O]+ 253.06246 138.1
[M+HCOO]- 315.06340 161.6
[M+CH3COO]- 329.07905 195.2
[M+Na-2H]- 291.03987 152.5
[M]+ 270.06465 144.3
[M]- 270.06575 144.3
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

patents stripe