CID 471528

.beta.-d-n^4-ac-d4fc

Structural Information

Molecular Formula
C11H12FN3O4
SMILES
CC(=O)NC1=NC(=O)N(C=C1F)[C@H]2C=C[C@H](O2)CO
InChI
InChI=1S/C11H12FN3O4/c1-6(17)13-10-8(12)4-15(11(18)14-10)9-3-2-7(5-16)19-9/h2-4,7,9,16H,5H2,1H3,(H,13,14,17,18)/t7-,9+/m0/s1
InChIKey
YGHJLKGKIUFIAY-IONNQARKSA-N
Compound name
N-[5-fluoro-1-[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-2-oxopyrimidin-4-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

269.08118 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.08846 156.3
[M+Na]+ 292.07040 165.5
[M-H]- 268.07390 159.4
[M+NH4]+ 287.11500 169.7
[M+K]+ 308.04434 163.4
[M+H-H2O]+ 252.07844 147.5
[M+HCOO]- 314.07938 176.1
[M+CH3COO]- 328.09503 195.8
[M+Na-2H]- 290.05585 158.5
[M]+ 269.08063 156.8
[M]- 269.08173 156.8
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.