CID 11682443

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

Structural Information

Molecular Formula
C16H20N2O9
SMILES
CC(=O)OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C3OCCO3)OC(=O)C
InChI
InChI=1S/C16H20N2O9/c1-8(19)25-7-12-11(26-9(2)20)5-13(27-12)18-6-10(14(21)17-16(18)22)15-23-3-4-24-15/h6,11-13,15H,3-5,7H2,1-2H3,(H,17,21,22)/t11-,12+,13+/m0/s1
InChIKey
YMUNJQHMHYUSGF-YNEHKIRRSA-N
Compound name
[(2R,3S,5R)-3-acetyloxy-5-[5-(1,3-dioxolan-2-yl)-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

384.11688 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.12416 181.6
[M+Na]+ 407.10610 187.6
[M-H]- 383.10960 190.0
[M+NH4]+ 402.15070 188.8
[M+K]+ 423.08004 189.8
[M+H-H2O]+ 367.11414 175.1
[M+HCOO]- 429.11508 195.8
[M+CH3COO]- 443.13073 213.4
[M+Na-2H]- 405.09155 178.7
[M]+ 384.11633 186.5
[M]- 384.11743 186.5
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.