CID 15956674

[(2r,3s,5r)-2-(azidomethyl)-5-(5-iodo-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-3-yl] acetate

Structural Information

Molecular Formula
C11H12IN5O5
SMILES
CC(=O)O[C@H]1C[C@@H](O[C@@H]1CN=[N+]=[N-])N2C=C(C(=O)NC2=O)I
InChI
InChI=1S/C11H12IN5O5/c1-5(18)21-7-2-9(22-8(7)3-14-16-13)17-4-6(12)10(19)15-11(17)20/h4,7-9H,2-3H2,1H3,(H,15,19,20)/t7-,8+,9+/m0/s1
InChIKey
ONKFTQDWZDPQGO-DJLDLDEBSA-N
Compound name
[(2R,3S,5R)-2-(azidomethyl)-5-(5-iodo-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

420.9883 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.99558 182.2
[M+Na]+ 443.97752 182.6
[M-H]- 419.98102 182.0
[M+NH4]+ 439.02212 189.3
[M+K]+ 459.95146 182.2
[M+H-H2O]+ 403.98556 173.9
[M+HCOO]- 465.98650 201.7
[M+CH3COO]- 480.00215 210.6
[M+Na-2H]- 441.96297 175.5
[M]+ 420.98775 178.8
[M]- 420.98885 178.8
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

No patent data available for this compound.