CID 15956673

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

Structural Information

Molecular Formula
C14H19N3O6
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CNC(=O)C)OC(=O)C
InChI
InChI=1S/C14H19N3O6/c1-7-6-17(14(21)16-13(7)20)12-4-10(22-9(3)19)11(23-12)5-15-8(2)18/h6,10-12H,4-5H2,1-3H3,(H,15,18)(H,16,20,21)/t10-,11+,12+/m0/s1
InChIKey
SLHHBRMBPWEVDZ-QJPTWQEYSA-N
Compound name
[(2R,3S,5R)-2-(acetamidomethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

325.12738 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.13466 171.6
[M+Na]+ 348.11660 179.2
[M-H]- 324.12010 175.9
[M+NH4]+ 343.16120 182.7
[M+K]+ 364.09054 177.9
[M+H-H2O]+ 308.12464 163.8
[M+HCOO]- 370.12558 189.7
[M+CH3COO]- 384.14123 207.5
[M+Na-2H]- 346.10205 170.6
[M]+ 325.12683 174.1
[M]- 325.12793 174.1
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.