CID 148821883

((3ar,4r,6r,6ar)-6-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methyl isobutyrate

Structural Information

Molecular Formula
C16H22N2O7
SMILES
CC(C)C(=O)OC[C@@H]1[C@@H]2[C@H]([C@@H](O1)N3C=CC(=O)NC3=O)OC(O2)(C)C
InChI
InChI=1S/C16H22N2O7/c1-8(2)14(20)22-7-9-11-12(25-16(3,4)24-11)13(23-9)18-6-5-10(19)17-15(18)21/h5-6,8-9,11-13H,7H2,1-4H3,(H,17,19,21)/t9-,11-,12-,13-/m1/s1
InChIKey
ORYLGPPOEFBRMM-OJAKKHQRSA-N
Compound name
[(3aR,4R,6R,6aR)-4-(2,4-dioxopyrimidin-1-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl 2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.1427 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.14998 177.5
[M+Na]+ 377.13192 186.2
[M+NH4]+ 372.17652 182.2
[M+K]+ 393.10586 187.3
[M-H]- 353.13542 179.7
[M+Na-2H]- 375.11737 177.1
[M]+ 354.14215 179.0
[M]- 354.14325 179.0
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.