CID 481523

Schembl7208596

Structural Information

Molecular Formula
C11H12FN3O4
SMILES
C#C[C@]1([C@H](C[C@@H](O1)N2C=C(C(=NC2=O)N)F)O)CO
InChI
InChI=1S/C11H12FN3O4/c1-2-11(5-16)7(17)3-8(19-11)15-4-6(12)9(13)14-10(15)18/h1,4,7-8,16-17H,3,5H2,(H2,13,14,18)/t7-,8+,11+/m0/s1
InChIKey
NFKCHWDAWIBZKR-VAOFZXAKSA-N
Compound name
4-amino-1-[(2R,4S,5R)-5-ethynyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoropyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

14
Patents

269.08118 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.08846 153.1
[M+Na]+ 292.07040 164.6
[M-H]- 268.07390 152.2
[M+NH4]+ 287.11500 165.7
[M+K]+ 308.04434 160.2
[M+H-H2O]+ 252.07844 139.3
[M+HCOO]- 314.07938 164.7
[M+CH3COO]- 328.09503 200.0
[M+Na-2H]- 290.05585 154.0
[M]+ 269.08063 145.4
[M]- 269.08173 145.4
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.