CID 15958312

2,4(1h,3h)-pyrimidinedione, 1-[2,5-bis-o-(2,2-dimethyl-1-oxopropyl)-.beta.-d-ribofuranosyl]-3-(carboxymethyl)-5-methyl-

Structural Information

Molecular Formula
C22H32N2O10
SMILES
CC1=CN(C(=O)N(C1=O)CC(=O)O)[C@H]2[C@@H]([C@@H]([C@H](O2)COC(=O)C(C)(C)C)O)OC(=O)C(C)(C)C
InChI
InChI=1S/C22H32N2O10/c1-11-8-24(20(31)23(16(11)28)9-13(25)26)17-15(34-19(30)22(5,6)7)14(27)12(33-17)10-32-18(29)21(2,3)4/h8,12,14-15,17,27H,9-10H2,1-7H3,(H,25,26)/t12-,14-,15-,17-/m1/s1
InChIKey
XPMXGDFKCHPBNB-DNNBLBMLSA-N
Compound name
2-[3-[(2R,3R,4R,5R)-3-(2,2-dimethylpropanoyloxy)-5-(2,2-dimethylpropanoyloxymethyl)-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

484.2057 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.21298 204.2
[M+Na]+ 507.19492 209.8
[M-H]- 483.19842 207.3
[M+NH4]+ 502.23952 208.7
[M+K]+ 523.16886 211.2
[M+H-H2O]+ 467.20296 198.3
[M+HCOO]- 529.20390 213.8
[M+CH3COO]- 543.21955 235.8
[M+Na-2H]- 505.18037 201.2
[M]+ 484.20515 212.5
[M]- 484.20625 212.5
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.