CID 15956350

[(2r,3s,5r)-3-[tert-butyl(dimethyl)silyl]oxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl 2-[(4r)-4-hydroxy-2,4-dimethyl-tetrahydrofuran-2-yl]acetate

Structural Information

Molecular Formula
C24H40N2O8Si
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COC(=O)CC3(C[C@@](CO3)(C)O)C)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C24H40N2O8Si/c1-15-11-26(21(29)25-20(15)28)18-9-16(34-35(7,8)22(2,3)4)17(33-18)12-31-19(27)10-24(6)13-23(5,30)14-32-24/h11,16-18,30H,9-10,12-14H2,1-8H3,(H,25,28,29)/t16-,17+,18+,23+,24?/m0/s1
InChIKey
AVKKTQOCAFFDJX-WPQPDHHTSA-N
Compound name
[(2R,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 2-[(4R)-4-hydroxy-2,4-dimethyloxolan-2-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

512.2554 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 513.26268 211.4
[M+Na]+ 535.24462 216.4
[M-H]- 511.24812 217.5
[M+NH4]+ 530.28922 219.6
[M+K]+ 551.21856 217.4
[M+H-H2O]+ 495.25266 207.7
[M+HCOO]- 557.25360 219.5
[M+CH3COO]- 571.26925 235.6
[M+Na-2H]- 533.23007 211.2
[M]+ 512.25485 217.4
[M]- 512.25595 217.4
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.