CID 3003601

[(2s,5r)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-2,5-dihydrofuran-2-yl]methyl vinyl carbonate

Structural Information

Molecular Formula
C13H14N2O6
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@H](O2)COC(=O)OC=C
InChI
InChI=1S/C13H14N2O6/c1-3-19-13(18)20-7-9-4-5-10(21-9)15-6-8(2)11(16)14-12(15)17/h3-6,9-10H,1,7H2,2H3,(H,14,16,17)/t9-,10+/m0/s1
InChIKey
YNCJCJXCVINGSI-VHSXEESVSA-N
Compound name
ethenyl [(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

294.08517 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.09245 161.2
[M+Na]+ 317.07439 170.7
[M-H]- 293.07789 165.5
[M+NH4]+ 312.11899 173.8
[M+K]+ 333.04833 168.8
[M+H-H2O]+ 277.08243 153.4
[M+HCOO]- 339.08337 181.1
[M+CH3COO]- 353.09902 196.4
[M+Na-2H]- 315.05984 162.8
[M]+ 294.08462 165.6
[M]- 294.08572 165.6
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.