CID 452584

5'-pivaloyl-d4t

Structural Information

Molecular Formula
C15H20N2O5
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@H](O2)COC(=O)C(C)(C)C
InChI
InChI=1S/C15H20N2O5/c1-9-7-17(14(20)16-12(9)18)11-6-5-10(22-11)8-21-13(19)15(2,3)4/h5-7,10-11H,8H2,1-4H3,(H,16,18,20)/t10-,11+/m0/s1
InChIKey
OIXBHGSSSPUXAM-WDEREUQCSA-N
Compound name
[(2S,5R)-5-(5-methyl-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

4
Patents

308.1372 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.14448 169.0
[M+Na]+ 331.12642 177.9
[M-H]- 307.12992 173.3
[M+NH4]+ 326.17102 181.4
[M+K]+ 347.10036 176.1
[M+H-H2O]+ 291.13446 161.9
[M+HCOO]- 353.13540 186.3
[M+CH3COO]- 367.15105 201.2
[M+Na-2H]- 329.11187 170.6
[M]+ 308.13665 172.9
[M]- 308.13775 172.9
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

patents stripe