CID 373957

Nsc650989

Structural Information

Molecular Formula
C18H22N2O11
SMILES
CC(=O)OCC1C(C(C(C(O1)N2C=CC(=O)NC2=O)OC(=O)C)OC(=O)C)OC(=O)C
InChI
InChI=1S/C18H22N2O11/c1-8(21)27-7-12-14(28-9(2)22)15(29-10(3)23)16(30-11(4)24)17(31-12)20-6-5-13(25)19-18(20)26/h5-6,12,14-17H,7H2,1-4H3,(H,19,25,26)
InChIKey
UALIWFYMJMVXDB-UHFFFAOYSA-N
Compound name
[3,4,5-triacetyloxy-6-(2,4-dioxopyrimidin-1-yl)oxan-2-yl]methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

442.12234 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.12962 188.9
[M+Na]+ 465.11156 194.6
[M-H]- 441.11506 192.5
[M+NH4]+ 460.15616 193.0
[M+K]+ 481.08550 196.7
[M+H-H2O]+ 425.11960 179.9
[M+HCOO]- 487.12054 201.8
[M+CH3COO]- 501.13619 227.7
[M+Na-2H]- 463.09701 185.9
[M]+ 442.12179 196.4
[M]- 442.12289 196.4
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.