CID 472623

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

Structural Information

Molecular Formula
C14H17ClN2O5
SMILES
CC(C)(C)C(=O)OC[C@@H]1C=C[C@@H](O1)N2C=C(C(=O)NC2=O)Cl
InChI
InChI=1S/C14H17ClN2O5/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
MZWWAAVBHHCIFI-WCBMZHEXSA-N
Compound name
[(2S,5R)-5-(5-chloro-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

328.0826 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.08988 170.9
[M+Na]+ 351.07182 180.8
[M-H]- 327.07532 175.3
[M+NH4]+ 346.11642 183.4
[M+K]+ 367.04576 177.6
[M+H-H2O]+ 311.07986 164.3
[M+HCOO]- 373.08080 183.8
[M+CH3COO]- 387.09645 201.9
[M+Na-2H]- 349.05727 172.5
[M]+ 328.08205 176.4
[M]- 328.08315 176.4
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.