CID 493604

(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-carboxamide

Structural Information

Molecular Formula
C24H43N3O7Si2
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)N)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C24H43N3O7Si2/c1-14-12-27(21(30)26-19(14)29)20-17(34-36(10,11)23(5,6)7)24(16(33-24)18(25)28)15(32-20)13-31-35(8,9)22(2,3)4/h12,15-17,20H,13H2,1-11H3,(H2,25,28)(H,26,29,30)/t15-,16+,17+,20-,24?/m1/s1
InChIKey
WQXSAHCTLGCLCF-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-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

541.264 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 542.27128 221.6
[M+Na]+ 564.25322 228.3
[M-H]- 540.25672 228.0
[M+NH4]+ 559.29782 222.4
[M+K]+ 580.22716 227.9
[M+H-H2O]+ 524.26126 217.8
[M+HCOO]- 586.26220 228.0
[M+CH3COO]- 600.27785 247.4
[M+Na-2H]- 562.23867 224.6
[M]+ 541.26345 231.4
[M]- 541.26455 231.4
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.