CID 472624

[(2s,5r)-5-(5-iodo-2,4-dioxo-pyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methyl 2,2-dimethylpropanoate

Structural Information

Molecular Formula
C14H17IN2O5
SMILES
CC(C)(C)C(=O)OC[C@@H]1C=C[C@@H](O1)N2C=C(C(=O)NC2=O)I
InChI
InChI=1S/C14H17IN2O5/c1-14(2,3)12(19)21-7-8-4-5-10(22-8)17-6-9(15)11(18)16-13(17)20/h4-6,8,10H,7H2,1-3H3,(H,16,18,20)/t8-,10+/m0/s1
InChIKey
ZJUVQQDAZROSSE-WCBMZHEXSA-N
Compound name
[(2S,5R)-5-(5-iodo-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methyl 2,2-dimethylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.01822 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.02550 178.7
[M+Na]+ 443.00744 180.4
[M-H]- 419.01094 175.9
[M+NH4]+ 438.05204 186.2
[M+K]+ 458.98138 184.4
[M+H-H2O]+ 403.01548 167.9
[M+HCOO]- 465.01642 191.1
[M+CH3COO]- 479.03207 208.4
[M+Na-2H]- 440.99289 168.5
[M]+ 420.01767 179.4
[M]- 420.01877 179.4
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.