CID 3011613

4-amino-1-[(2r,5r)-5-ethynyl-4-fluoro-5-(hydroxymethyl)-2h-furan-2-yl]pyrimidin-2-one

Structural Information

Molecular Formula
C11H10FN3O3
SMILES
C#C[C@]1(C(=C[C@@H](O1)N2C=CC(=NC2=O)N)F)CO
InChI
InChI=1S/C11H10FN3O3/c1-2-11(6-16)7(12)5-9(18-11)15-4-3-8(13)14-10(15)17/h1,3-5,9,16H,6H2,(H2,13,14,17)/t9-,11-/m1/s1
InChIKey
SEKULSOQMLZNGU-MWLCHTKSSA-N
Compound name
4-amino-1-[(2R,5R)-5-ethynyl-4-fluoro-5-(hydroxymethyl)-2H-furan-2-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

251.07062 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.07790 149.3
[M+Na]+ 274.05984 161.5
[M-H]- 250.06334 149.4
[M+NH4]+ 269.10444 163.0
[M+K]+ 290.03378 156.8
[M+H-H2O]+ 234.06788 134.9
[M+HCOO]- 296.06882 163.3
[M+CH3COO]- 310.08447 198.4
[M+Na-2H]- 272.04529 151.8
[M]+ 251.07007 142.8
[M]- 251.07117 142.8
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

No patent data available for this compound.