CID 514804

95740-17-3

Structural Information

Molecular Formula
C11H16FN3O4
SMILES
CCC1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)F
InChI
InChI=1S/C11H16FN3O4/c1-2-5-3-15(11(18)14-9(5)13)10-7(12)8(17)6(4-16)19-10/h3,6-8,10,16-17H,2,4H2,1H3,(H2,13,14,18)/t6-,7+,8-,10-/m1/s1
InChIKey
QBSJDBXQJJKDOI-IBCQBUCCSA-N
Compound name
4-amino-5-ethyl-1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

6
Patents

273.1125 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.11978 160.3
[M+Na]+ 296.10172 169.8
[M-H]- 272.10522 161.8
[M+NH4]+ 291.14632 173.2
[M+K]+ 312.07566 166.7
[M+H-H2O]+ 256.10976 152.1
[M+HCOO]- 318.11070 177.1
[M+CH3COO]- 332.12635 196.6
[M+Na-2H]- 294.08717 159.7
[M]+ 273.11195 158.8
[M]- 273.11305 158.8
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

No patent data available for this compound.