CID 15956151

[(2r,3s,5r)-5-(5-acetamido-2,4-dioxo-pyrimidin-1-yl)-3-acetoxy-tetrahydrofuran-2-yl]methyl acetate

Structural Information

Molecular Formula
C15H19N3O8
SMILES
CC(=O)NC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COC(=O)C)OC(=O)C
InChI
InChI=1S/C15H19N3O8/c1-7(19)16-10-5-18(15(23)17-14(10)22)13-4-11(25-9(3)21)12(26-13)6-24-8(2)20/h5,11-13H,4,6H2,1-3H3,(H,16,19)(H,17,22,23)/t11-,12+,13+/m0/s1
InChIKey
ZJDLCMBCFXZJIS-YNEHKIRRSA-N
Compound name
[(2R,3S,5R)-5-(5-acetamido-2,4-dioxopyrimidin-1-yl)-3-acetyloxyoxolan-2-yl]methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

369.11722 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.12450 178.4
[M+Na]+ 392.10644 185.0
[M-H]- 368.10994 182.6
[M+NH4]+ 387.15104 187.3
[M+K]+ 408.08038 185.0
[M+H-H2O]+ 352.11448 170.4
[M+HCOO]- 414.11542 195.7
[M+CH3COO]- 428.13107 215.0
[M+Na-2H]- 390.09189 176.4
[M]+ 369.11667 182.7
[M]- 369.11777 182.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.