CID 466662

Methyl [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
C18H20N2O10
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@H](O2)COC(=O)CC3(C(=O)OCO3)CC(=O)OC
InChI
InChI=1S/C18H20N2O10/c1-10-7-20(17(25)19-15(10)23)12-4-3-11(30-12)8-27-14(22)6-18(5-13(21)26-2)16(24)28-9-29-18/h3-4,7,11-12H,5-6,8-9H2,1-2H3,(H,19,23,25)/t11-,12+,18?/m0/s1
InChIKey
GJKIEBUXJIWCNH-AADFBRNSSA-N
Compound name
methyl 2-[4-[2-[[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy]-2-oxoethyl]-5-oxo-1,3-dioxolan-4-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

424.1118 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.11908 187.1
[M+Na]+ 447.10102 194.0
[M-H]- 423.10452 195.8
[M+NH4]+ 442.14562 194.5
[M+K]+ 463.07496 196.4
[M+H-H2O]+ 407.10906 181.1
[M+HCOO]- 469.11000 202.3
[M+CH3COO]- 483.12565 220.1
[M+Na-2H]- 445.08647 186.2
[M]+ 424.11125 195.2
[M]- 424.11235 195.2
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.