CID 471525

Chembl171878

Structural Information

Molecular Formula
C11H12FN3O4
SMILES
CC(=O)OC[C@@H]1C=C[C@@H](O1)N2C=C(C(=NC2=O)N)F
InChI
InChI=1S/C11H12FN3O4/c1-6(16)18-5-7-2-3-9(19-7)15-4-8(12)10(13)14-11(15)17/h2-4,7,9H,5H2,1H3,(H2,13,14,17)/t7-,9+/m0/s1
InChIKey
PBRYZXYTYWAQSH-IONNQARKSA-N
Compound name
[(2S,5R)-5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

24
Patents

269.08118 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.08846 156.2
[M+Na]+ 292.07040 165.8
[M-H]- 268.07390 160.2
[M+NH4]+ 287.11500 170.1
[M+K]+ 308.04434 164.3
[M+H-H2O]+ 252.07844 147.2
[M+HCOO]- 314.07938 176.9
[M+CH3COO]- 328.09503 197.6
[M+Na-2H]- 290.05585 157.9
[M]+ 269.08063 157.6
[M]- 269.08173 157.6
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.