CID 488486

Chembl3142818

Structural Information

Molecular Formula
C25H36N2O8Si
SMILES
CC1=CN(C(=O)N(C1=O)CC(=O)OCC2=CC=CC=C2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C25H36N2O8Si/c1-16-12-27(23-21(20(30)18(14-28)34-23)35-36(5,6)25(2,3)4)24(32)26(22(16)31)13-19(29)33-15-17-10-8-7-9-11-17/h7-12,18,20-21,23,28,30H,13-15H2,1-6H3/t18-,20-,21-,23-/m1/s1
InChIKey
UDHGWZLFFYNWRQ-KTDPBYDISA-N
Compound name
benzyl 2-[3-[(2R,3R,4R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-5-(hydroxymethyl)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

520.2241 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 521.23138 221.1
[M+Na]+ 543.21332 226.3
[M-H]- 519.21682 226.9
[M+NH4]+ 538.25792 224.3
[M+K]+ 559.18726 225.2
[M+H-H2O]+ 503.22136 212.6
[M+HCOO]- 565.22230 231.5
[M+CH3COO]- 579.23795 239.9
[M+Na-2H]- 541.19877 218.7
[M]+ 520.22355 227.9
[M]- 520.22465 227.9
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

No patent data available for this compound.