CID 15958311

2,4(1h,3h)-pyrimidinedione, 3-(carboxymethyl)-1-(2,5-di-o-benzoyl-.beta.-d-ribofuranosyl)-5-methyl-

Structural Information

Molecular Formula
C26H24N2O10
SMILES
CC1=CN(C(=O)N(C1=O)CC(=O)O)[C@H]2[C@@H]([C@@H]([C@H](O2)COC(=O)C3=CC=CC=C3)O)OC(=O)C4=CC=CC=C4
InChI
InChI=1S/C26H24N2O10/c1-15-12-28(26(35)27(22(15)32)13-19(29)30)23-21(38-25(34)17-10-6-3-7-11-17)20(31)18(37-23)14-36-24(33)16-8-4-2-5-9-16/h2-12,18,20-21,23,31H,13-14H2,1H3,(H,29,30)/t18-,20-,21-,23-/m1/s1
InChIKey
HUIITFMTQAZTEH-KTDPBYDISA-N
Compound name
2-[3-[(2R,3R,4R,5R)-3-benzoyloxy-5-(benzoyloxymethyl)-4-hydroxyoxolan-2-yl]-5-methyl-2,6-dioxopyrimidin-1-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

524.14307 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 525.15035 215.7
[M+Na]+ 547.13229 220.4
[M-H]- 523.13579 224.9
[M+NH4]+ 542.17689 216.4
[M+K]+ 563.10623 219.7
[M+H-H2O]+ 507.14033 204.8
[M+HCOO]- 569.14127 229.1
[M+CH3COO]- 583.15692 240.9
[M+Na-2H]- 545.11774 210.8
[M]+ 524.14252 220.9
[M]- 524.14362 220.9
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.