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

literature stripe

Patent stripe

patents stripe