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

1
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

patents stripe