CID 46783603

921769-65-5

Structural Information

Molecular Formula
C16H20FN3O7
SMILES
CCCCCOC(=O)NC1=NC(=O)N(C=C1F)[C@H]2[C@@H]3C([C@H](O2)C)OC(=O)O3
InChI
InChI=1S/C16H20FN3O7/c1-3-4-5-6-24-15(22)19-12-9(17)7-20(14(21)18-12)13-11-10(8(2)25-13)26-16(23)27-11/h7-8,10-11,13H,3-6H2,1-2H3,(H,18,19,21,22)/t8-,10?,11+,13-/m1/s1
InChIKey
VTAMAYSBXXKQPB-IZSYJUOESA-N
Compound name
pentyl N-[1-[(3aS,4R,6R)-6-methyl-2-oxo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

385.12854 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.13582 190.4
[M+Na]+ 408.11776 197.9
[M+NH4]+ 403.16236 192.7
[M+K]+ 424.09170 199.9
[M-H]- 384.12126 191.9
[M+Na-2H]- 406.10321 187.5
[M]+ 385.12799 191.2
[M]- 385.12909 191.2
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.