CID 510973

791585-24-5

Structural Information

Molecular Formula
C10H14FN3O5
SMILES
C[C@]1([C@H]([C@H]([C@@H](O1)N2C=C(C(=NC2=O)N)F)O)O)CO
InChI
InChI=1S/C10H14FN3O5/c1-10(3-15)6(17)5(16)8(19-10)14-2-4(11)7(12)13-9(14)18/h2,5-6,8,15-17H,3H2,1H3,(H2,12,13,18)/t5-,6+,8-,10-/m1/s1
InChIKey
WUUPBJFCMYPJTL-TWOTXZKJSA-N
Compound name
4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-5-methyloxolan-2-yl]-5-fluoropyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

275.09174 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.09902 156.6
[M+Na]+ 298.08096 166.8
[M-H]- 274.08446 157.2
[M+NH4]+ 293.12556 170.7
[M+K]+ 314.05490 164.2
[M+H-H2O]+ 258.08900 149.8
[M+HCOO]- 320.08994 172.5
[M+CH3COO]- 334.10559 193.4
[M+Na-2H]- 296.06641 157.9
[M]+ 275.09119 154.9
[M]- 275.09229 154.9
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

No patent data available for this compound.