CID 3010604

[(2r,5s)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methyl [(2s,5r)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methyl carbonate

Structural Information

Molecular Formula
C21H22N4O9
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@H](O2)COC(=O)OC[C@H]3C=C[C@H](O3)N4C=C(C(=O)NC4=O)C
InChI
InChI=1S/C21H22N4O9/c1-11-7-24(19(28)22-17(11)26)15-5-3-13(33-15)9-31-21(30)32-10-14-4-6-16(34-14)25-8-12(2)18(27)23-20(25)29/h3-8,13-16H,9-10H2,1-2H3,(H,22,26,28)(H,23,27,29)/t13-,14+,15+,16-
InChIKey
IWGXULHROVZGAT-SYMSYNOKSA-N
Compound name
[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methyl [(2R,5S)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

474.13867 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.14595 204.7
[M+Na]+ 497.12789 213.4
[M-H]- 473.13139 213.5
[M+NH4]+ 492.17249 206.3
[M+K]+ 513.10183 211.4
[M+H-H2O]+ 457.13593 195.2
[M+HCOO]- 519.13687 218.8
[M+CH3COO]- 533.15252 229.7
[M+Na-2H]- 495.11334 200.0
[M]+ 474.13812 210.8
[M]- 474.13922 210.8
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.