CID 466660

(4-allyloxycarbonylmethyl-5-oxo-[1,3]dioxolan-4-yl)-acetic acid 5-(5-methyl-2,4-dioxo-3,4-dihydro-2h-pyrimidin-1-yl)-2,5-dihydro-furan-2-ylmethyl ester

Structural Information

Molecular Formula
C20H22N2O10
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@H](O2)COC(=O)CC3(C(=O)OCO3)CC(=O)OCC=C
InChI
InChI=1S/C20H22N2O10/c1-3-6-28-15(23)7-20(18(26)30-11-31-20)8-16(24)29-10-13-4-5-14(32-13)22-9-12(2)17(25)21-19(22)27/h3-5,9,13-14H,1,6-8,10-11H2,2H3,(H,21,25,27)/t13-,14+,20?/m0/s1
InChIKey
LUXUSTRVOCOINP-IODPJOFQSA-N
Compound name
prop-2-enyl 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

450.12744 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.13472 195.0
[M+Na]+ 473.11666 201.3
[M-H]- 449.12016 203.4
[M+NH4]+ 468.16126 201.2
[M+K]+ 489.09060 202.7
[M+H-H2O]+ 433.12470 188.8
[M+HCOO]- 495.12564 209.7
[M+CH3COO]- 509.14129 225.2
[M+Na-2H]- 471.10211 193.2
[M]+ 450.12689 203.0
[M]- 450.12799 203.0
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.