CID 493606

(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-carbohydroxamic acid

Structural Information

Molecular Formula
C24H43N3O8Si2
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)NO)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C24H43N3O8Si2/c1-14-12-27(21(30)25-18(14)28)20-17(35-37(10,11)23(5,6)7)24(16(34-24)19(29)26-31)15(33-20)13-32-36(8,9)22(2,3)4/h12,15-17,20,31H,13H2,1-11H3,(H,26,29)(H,25,28,30)/t15-,16+,17+,20-,24?/m1/s1
InChIKey
JHZRGFANOMJGNP-GLAHOTFKSA-N
Compound name
(2R,4R,5R,7R)-4-[tert-butyl(dimethyl)silyl]oxy-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-hydroxy-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

557.25885 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 558.26613 223.7
[M+Na]+ 580.24807 229.6
[M-H]- 556.25157 229.3
[M+NH4]+ 575.29267 223.4
[M+K]+ 596.22201 229.5
[M+H-H2O]+ 540.25611 220.2
[M+HCOO]- 602.25705 229.4
[M+CH3COO]- 616.27270 247.5
[M+Na-2H]- 578.23352 227.9
[M]+ 557.25830 234.1
[M]- 557.25940 234.1
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.