CID 488493

Benzyl 2-[3-[(2r,5s)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]tetrahydrofuran-2-yl]-5-methyl-2,6-dioxo-pyrimidin-1-yl]acetate

Structural Information

Molecular Formula
C25H36N2O6Si
SMILES
CC1=CN(C(=O)N(C1=O)CC(=O)OCC2=CC=CC=C2)[C@H]3CC[C@H](O3)CO[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C25H36N2O6Si/c1-18-14-26(21-13-12-20(33-21)17-32-34(5,6)25(2,3)4)24(30)27(23(18)29)15-22(28)31-16-19-10-8-7-9-11-19/h7-11,14,20-21H,12-13,15-17H2,1-6H3/t20-,21+/m0/s1
InChIKey
JIMNASJSRXLXKJ-LEWJYISDSA-N
Compound name
benzyl 2-[3-[(2R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-5-methyl-2,6-dioxopyrimidin-1-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

488.23425 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 489.24153 216.3
[M+Na]+ 511.22347 221.6
[M-H]- 487.22697 224.0
[M+NH4]+ 506.26807 222.0
[M+K]+ 527.19741 219.9
[M+H-H2O]+ 471.23151 206.9
[M+HCOO]- 533.23245 229.5
[M+CH3COO]- 547.24810 236.6
[M+Na-2H]- 509.20892 215.0
[M]+ 488.23370 223.0
[M]- 488.23480 223.0
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.