CID 472622

[(2s,5r)-5-(5-fluoro-2,4-dioxo-pyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methyl 2,2-dimethylpropanoate

Structural Information

Molecular Formula
C14H17FN2O5
SMILES
CC(C)(C)C(=O)OC[C@@H]1C=C[C@@H](O1)N2C=C(C(=O)NC2=O)F
InChI
InChI=1S/C14H17FN2O5/c1-14(2,3)12(19)21-7-8-4-5-10(22-8)17-6-9(15)11(18)16-13(17)20/h4-6,8,10H,7H2,1-3H3,(H,16,18,20)/t8-,10+/m0/s1
InChIKey
KJHYSNYEINXVCM-WCBMZHEXSA-N
Compound name
[(2S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methyl 2,2-dimethylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.11215 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.11943 167.2
[M+Na]+ 335.10137 176.6
[M-H]- 311.10487 170.4
[M+NH4]+ 330.14597 179.4
[M+K]+ 351.07531 174.6
[M+H-H2O]+ 295.10941 159.3
[M+HCOO]- 357.11035 183.8
[M+CH3COO]- 371.12600 200.9
[M+Na-2H]- 333.08682 168.8
[M]+ 312.11160 169.7
[M]- 312.11270 169.7
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.