CID 10764688

1-[(3ar,8as)-6-hydroxy-6-oxo-2,3,3a,4,8,8a-hexahydrofuro[2,3-e][1,3,2]dioxaphosphepin-2-yl]-4-amino-5-fluoro-pyrimidin-2-one

Structural Information

Molecular Formula
C10H13FN3O6P
SMILES
C1[C@@H]2COP(=O)(OC[C@H]2OC1N3C=C(C(=NC3=O)N)F)O
InChI
InChI=1S/C10H13FN3O6P/c11-6-2-14(10(15)13-9(6)12)8-1-5-3-18-21(16,17)19-4-7(5)20-8/h2,5,7-8H,1,3-4H2,(H,16,17)(H2,12,13,15)/t5-,7-,8?/m1/s1
InChIKey
QIMIFKUBKSMCFW-ULFNDUEJSA-N
Compound name
1-[(3aR,8aS)-6-hydroxy-6-oxo-2,3,3a,4,8,8a-hexahydrofuro[2,3-e][1,3,2]dioxaphosphepin-2-yl]-4-amino-5-fluoropyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.0526 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.05988 165.7
[M+Na]+ 344.04182 173.0
[M-H]- 320.04532 170.2
[M+NH4]+ 339.08642 176.4
[M+K]+ 360.01576 177.5
[M+H-H2O]+ 304.04986 154.7
[M+HCOO]- 366.05080 184.0
[M+CH3COO]- 380.06645 204.9
[M+Na-2H]- 342.02727 166.3
[M]+ 321.05205 162.5
[M]- 321.05315 162.5
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.