CID 493612

Nsc706115

Structural Information

Molecular Formula
C23H42ClN3O7Si2
SMILES
CC(C)(C)[Si](C)(C)OC[C@@H]1C([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)O[Si](C)(C)C(C)(C)C)(C(C(=O)N)Cl)O
InChI
InChI=1S/C23H42ClN3O7Si2/c1-21(2,3)35(7,8)32-13-14-23(31,16(24)18(25)29)17(34-36(9,10)22(4,5)6)19(33-14)27-12-11-15(28)26-20(27)30/h11-12,14,16-17,19,31H,13H2,1-10H3,(H2,25,29)(H,26,28,30)/t14-,16?,17+,19-,23?/m1/s1
InChIKey
SWQJNAZPLOVYGB-FPHRDXHYSA-N
Compound name
2-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-3-yl]-2-chloroacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

563.225 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 564.23228 221.9
[M+Na]+ 586.21422 225.9
[M-H]- 562.21772 223.9
[M+NH4]+ 581.25882 226.9
[M+K]+ 602.18816 225.5
[M+H-H2O]+ 546.22226 217.9
[M+HCOO]- 608.22320 223.5
[M+CH3COO]- 622.23885 245.4
[M+Na-2H]- 584.19967 223.5
[M]+ 563.22445 228.0
[M]- 563.22555 228.0
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.