CID 11639609

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

Structural Information

Molecular Formula
C16H22N2O9
SMILES
CC(=O)OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C(OC)OC)OC(=O)C
InChI
InChI=1S/C16H22N2O9/c1-8(19)25-7-12-11(26-9(2)20)5-13(27-12)18-6-10(15(23-3)24-4)14(21)17-16(18)22/h6,11-13,15H,5,7H2,1-4H3,(H,17,21,22)/t11-,12+,13+/m0/s1
InChIKey
JADXSIVDIZCFTF-YNEHKIRRSA-N
Compound name
[(2R,3S,5R)-3-acetyloxy-5-[5-(dimethoxymethyl)-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

386.13254 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.13982 180.4
[M+Na]+ 409.12176 187.0
[M-H]- 385.12526 184.4
[M+NH4]+ 404.16636 188.9
[M+K]+ 425.09570 188.1
[M+H-H2O]+ 369.12980 172.5
[M+HCOO]- 431.13074 196.4
[M+CH3COO]- 445.14639 216.1
[M+Na-2H]- 407.10721 177.8
[M]+ 386.13199 188.1
[M]- 386.13309 188.1
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.