CID 16728575

918877-65-3

Structural Information

Molecular Formula
C14H16N2O5
SMILES
CC(=O)OC[C@@H]1C(=C[C@@H](O1)N2C=CC(=O)NC2=O)CC=C
InChI
InChI=1S/C14H16N2O5/c1-3-4-10-7-13(21-11(10)8-20-9(2)17)16-6-5-12(18)15-14(16)19/h3,5-7,11,13H,1,4,8H2,2H3,(H,15,18,19)/t11-,13-/m1/s1
InChIKey
DHKXUZJBJCGWMT-DGCLKSJQSA-N
Compound name
[(2S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-prop-2-enyl-2,5-dihydrofuran-2-yl]methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

292.10593 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.11321 163.3
[M+Na]+ 315.09515 172.5
[M-H]- 291.09865 167.4
[M+NH4]+ 310.13975 176.0
[M+K]+ 331.06909 169.7
[M+H-H2O]+ 275.10319 155.5
[M+HCOO]- 337.10413 182.6
[M+CH3COO]- 351.11978 197.7
[M+Na-2H]- 313.08060 164.2
[M]+ 292.10538 166.7
[M]- 292.10648 166.7
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.