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

literature stripe

Patent stripe

patents stripe