CID 493608

(1r,4r,6r,7r)-7-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(5-methyl-2,4-dioxo-pyrimidin-1-yl)-2,5-dioxaspiro[2.4]heptane-1-carbohydrazide

Structural Information

Molecular Formula
C24H44N4O7Si2
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2[C@@H](C3([C@H](O2)CO[Si](C)(C)C(C)(C)C)[C@@H](O3)C(=O)NN)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C24H44N4O7Si2/c1-14-12-28(21(31)26-18(14)29)20-17(35-37(10,11)23(5,6)7)24(16(34-24)19(30)27-25)15(33-20)13-32-36(8,9)22(2,3)4/h12,15-17,20H,13,25H2,1-11H3,(H,27,30)(H,26,29,31)/t15-,16+,17+,20-,24?/m1/s1
InChIKey
VCJKQDMIZKSJHQ-GLAHOTFKSA-N
Compound name
(2R,4R,5R,7R)-4-[tert-butyl(dimethyl)silyl]oxy-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(5-methyl-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

556.27484 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 557.28212 225.4
[M+Na]+ 579.26406 231.2
[M-H]- 555.26756 231.7
[M+NH4]+ 574.30866 225.3
[M+K]+ 595.23800 230.8
[M+H-H2O]+ 539.27210 221.5
[M+HCOO]- 601.27304 232.8
[M+CH3COO]- 615.28869 252.1
[M+Na-2H]- 577.24951 229.2
[M]+ 556.27429 234.5
[M]- 556.27539 234.5
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.