CID 477416

(2r,5r)-1-[2,5-dihydro-5-(phosphonomethoxy)-2-furanyl]-5-iodouracil

Structural Information

Molecular Formula
C9H10IN2O7P
SMILES
C1=C[C@H](O[C@H]1N2C=C(C(=O)NC2=O)I)OCP(=O)(O)O
InChI
InChI=1S/C9H10IN2O7P/c10-5-3-12(9(14)11-8(5)13)6-1-2-7(19-6)18-4-20(15,16)17/h1-3,6-7H,4H2,(H,11,13,14)(H2,15,16,17)/t6-,7+/m1/s1
InChIKey
MLPVIQACYKFUAV-RQJHMYQMSA-N
Compound name
[(2R,5R)-5-(5-iodo-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]oxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.92703 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.93431 175.9
[M+Na]+ 438.91625 177.2
[M-H]- 414.91975 169.7
[M+NH4]+ 433.96085 182.1
[M+K]+ 454.89019 181.7
[M+H-H2O]+ 398.92429 163.0
[M+HCOO]- 460.92523 192.6
[M+CH3COO]- 474.94088 201.4
[M+Na-2H]- 436.90170 165.0
[M]+ 415.92648 175.3
[M]- 415.92758 175.3
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.