CID 10721226

Nsc694148

Structural Information

Molecular Formula
C23H42N4O7Si2
SMILES
CC(C)(C)[Si](C)(C)OC[C@@H]1[C@]2([C@H]([C@@H](O1)N3C=CC(=O)NC3=O)O[Si](C)(C)C(C)(C)C)[C@@H](O2)C(=O)NN
InChI
InChI=1S/C23H42N4O7Si2/c1-21(2,3)35(7,8)31-13-14-23(16(33-23)18(29)26-24)17(34-36(9,10)22(4,5)6)19(32-14)27-12-11-15(28)25-20(27)30/h11-12,14,16-17,19H,13,24H2,1-10H3,(H,26,29)(H,25,28,30)/t14-,16+,17+,19-,23-/m1/s1
InChIKey
VJJFTICHPOLIKW-IDMCENKTSA-N
Compound name
(2R,3R,4R,5R,7R)-4-[tert-butyl(dimethyl)silyl]oxy-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)-1,6-dioxaspiro[2.4]heptane-2-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

542.2592 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 543.26648 221.6
[M+Na]+ 565.24842 227.0
[M-H]- 541.25192 227.7
[M+NH4]+ 560.29302 221.8
[M+K]+ 581.22236 226.8
[M+H-H2O]+ 525.25646 217.4
[M+HCOO]- 587.25740 229.4
[M+CH3COO]- 601.27305 248.0
[M+Na-2H]- 563.23387 226.2
[M]+ 542.25865 229.9
[M]- 542.25975 229.9
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.