CID 454315

4-amino-1-[(2r,4r)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]-5-iodo-pyrimidin-2-one

Structural Information

Molecular Formula
C8H10IN3O4
SMILES
C1[C@@H](O[C@@H](O1)CO)N2C=C(C(=NC2=O)N)I
InChI
InChI=1S/C8H10IN3O4/c9-4-1-12(8(14)11-7(4)10)5-3-15-6(2-13)16-5/h1,5-6,13H,2-3H2,(H2,10,11,14)/t5-,6-/m1/s1
InChIKey
FGXLTPADELRYLB-PHDIDXHHSA-N
Compound name
4-amino-1-[(2R,4R)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]-5-iodopyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

338.9716 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.97888 161.1
[M+Na]+ 361.96082 163.2
[M-H]- 337.96432 158.5
[M+NH4]+ 357.00542 169.8
[M+K]+ 377.93476 168.2
[M+H-H2O]+ 321.96886 150.0
[M+HCOO]- 383.96980 175.3
[M+CH3COO]- 397.98545 195.7
[M+Na-2H]- 359.94627 152.5
[M]+ 338.97105 158.6
[M]- 338.97215 158.6
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.