CID 390076

Nsc687019

Structural Information

Molecular Formula
C16H20N2O9
SMILES
CC(=O)OCC1C(C(C(O1)N2C=CC(=O)NC2=O)OC(=O)C)CC(=O)OC
InChI
InChI=1S/C16H20N2O9/c1-8(19)25-7-11-10(6-13(22)24-3)14(26-9(2)20)15(27-11)18-5-4-12(21)17-16(18)23/h4-5,10-11,14-15H,6-7H2,1-3H3,(H,17,21,23)
InChIKey
PZHHYAXLTMDCCP-UHFFFAOYSA-N
Compound name
methyl 2-[4-acetyloxy-2-(acetyloxymethyl)-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.11688 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.12416 179.4
[M+Na]+ 407.10610 186.4
[M-H]- 383.10960 183.5
[M+NH4]+ 402.15070 188.0
[M+K]+ 423.08004 186.9
[M+H-H2O]+ 367.11414 171.7
[M+HCOO]- 429.11508 195.6
[M+CH3COO]- 443.13073 214.8
[M+Na-2H]- 405.09155 176.8
[M]+ 384.11633 186.3
[M]- 384.11743 186.3
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.