CID 466661

Benzyl [5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-2,5-dihydrofuran-2-yl]methyl 2,2'-(5-oxo-1,3-dioxolane-4,4-diyl)diacetate

Structural Information

Molecular Formula
C24H24N2O10
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@H](O2)COC(=O)CC3(C(=O)OCO3)CC(=O)OCC4=CC=CC=C4
InChI
InChI=1S/C24H24N2O10/c1-15-11-26(23(31)25-21(15)29)18-8-7-17(36-18)13-33-20(28)10-24(22(30)34-14-35-24)9-19(27)32-12-16-5-3-2-4-6-16/h2-8,11,17-18H,9-10,12-14H2,1H3,(H,25,29,31)/t17-,18+,24?/m0/s1
InChIKey
AYUDTRRRVPBBSZ-ZKIJEIRCSA-N
Compound name
[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methyl 2-[5-oxo-4-(2-oxo-2-phenylmethoxyethyl)-1,3-dioxolan-4-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

500.1431 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 501.15038 208.3
[M+Na]+ 523.13232 213.7
[M-H]- 499.13582 219.9
[M+NH4]+ 518.17692 211.9
[M+K]+ 539.10626 215.2
[M+H-H2O]+ 483.14036 200.4
[M+HCOO]- 545.14130 222.7
[M+CH3COO]- 559.15695 233.9
[M+Na-2H]- 521.11777 205.9
[M]+ 500.14255 215.7
[M]- 500.14365 215.7
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.