CID 477420

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

Structural Information

Molecular Formula
C11H13N2O7P
SMILES
C=CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@H](O2)OCP(=O)(O)O
InChI
InChI=1S/C11H13N2O7P/c1-2-7-5-13(11(15)12-10(7)14)8-3-4-9(20-8)19-6-21(16,17)18/h2-5,8-9H,1,6H2,(H,12,14,15)(H2,16,17,18)/t8-,9+/m1/s1
InChIKey
KHHCWZIADOCQNO-BDAKNGLRSA-N
Compound name
[(2R,5R)-5-(5-ethenyl-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

316.04605 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.05333 165.7
[M+Na]+ 339.03527 173.9
[M-H]- 315.03877 166.2
[M+NH4]+ 334.07987 176.1
[M+K]+ 355.00921 171.9
[M+H-H2O]+ 299.04331 156.3
[M+HCOO]- 361.04425 187.4
[M+CH3COO]- 375.05990 196.0
[M+Na-2H]- 337.02072 166.3
[M]+ 316.04550 167.9
[M]- 316.04660 167.9
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.