CID 454313

D-dofc

Structural Information

Molecular Formula
C8H10FN3O4
SMILES
C1[C@@H](O[C@@H](O1)CO)N2C=C(C(=NC2=O)N)F
InChI
InChI=1S/C8H10FN3O4/c9-4-1-12(8(14)11-7(4)10)5-3-15-6(2-13)16-5/h1,5-6,13H,2-3H2,(H2,10,11,14)/t5-,6-/m1/s1
InChIKey
RJKXXGNCKMQXTH-PHDIDXHHSA-N
Compound name
4-amino-5-fluoro-1-[(2R,4R)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

273
Patents

231.06554 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.07282 146.8
[M+Na]+ 254.05476 156.4
[M-H]- 230.05826 150.0
[M+NH4]+ 249.09936 160.2
[M+K]+ 270.02870 155.6
[M+H-H2O]+ 214.06280 138.5
[M+HCOO]- 276.06374 165.3
[M+CH3COO]- 290.07939 187.4
[M+Na-2H]- 252.04021 150.2
[M]+ 231.06499 145.9
[M]- 231.06609 145.9
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