CID 15957668

Ethyl n-[[(2r,3s,5r)-3-hydroxy-5-(5-iodo-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl]carbamate

Structural Information

Molecular Formula
C12H16IN3O6
SMILES
CCOC(=O)NC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)I)O
InChI
InChI=1S/C12H16IN3O6/c1-2-21-12(20)14-4-8-7(17)3-9(22-8)16-5-6(13)10(18)15-11(16)19/h5,7-9,17H,2-4H2,1H3,(H,14,20)(H,15,18,19)/t7-,8+,9+/m0/s1
InChIKey
VFEKUQUCOZIPMD-DJLDLDEBSA-N
Compound name
ethyl N-[[(2R,3S,5R)-3-hydroxy-5-(5-iodo-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

425.0084 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.01568 181.3
[M+Na]+ 447.99762 181.7
[M-H]- 424.00112 177.2
[M+NH4]+ 443.04222 187.4
[M+K]+ 463.97156 185.6
[M+H-H2O]+ 408.00566 169.8
[M+HCOO]- 470.00660 193.9
[M+CH3COO]- 484.02225 209.2
[M+Na-2H]- 445.98307 169.4
[M]+ 425.00785 179.7
[M]- 425.00895 179.7
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.