CID 11563259

3-[2-[[(2s,5r)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy]-2-oxo-4h-1,3,2$l^{5}-benzodioxaphosphinin-6-yl]propanoyloxymethyl 2,2-dimethylpropanoate

Structural Information

Molecular Formula
C26H31N2O11P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@H](O2)COP3(=O)OCC4=C(O3)C=CC(=C4)CCC(=O)OCOC(=O)C(C)(C)C
InChI
InChI=1S/C26H31N2O11P/c1-16-12-28(25(32)27-23(16)30)21-9-7-19(38-21)14-37-40(33)36-13-18-11-17(5-8-20(18)39-40)6-10-22(29)34-15-35-24(31)26(2,3)4/h5,7-9,11-12,19,21H,6,10,13-15H2,1-4H3,(H,27,30,32)/t19-,21+,40?/m0/s1
InChIKey
GDGPZGMBPDPHQO-HSIIAARLSA-N
Compound name
3-[2-[[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy]-2-oxo-4H-1,3,2lambda5-benzodioxaphosphinin-6-yl]propanoyloxymethyl 2,2-dimethylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

578.16656 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 579.17384 230.5
[M+Na]+ 601.15578 234.5
[M-H]- 577.15928 237.9
[M+NH4]+ 596.20038 230.8
[M+K]+ 617.12972 238.1
[M+H-H2O]+ 561.16382 219.0
[M+HCOO]- 623.16476 244.7
[M+CH3COO]- 637.18041 251.9
[M+Na-2H]- 599.14123 228.6
[M]+ 578.16601 240.1
[M]- 578.16711 240.1
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.