CID 472629

[1-[2',5'-bis-o-(tert-butyldimethylsilyl)-.beta.-d-xylofuranosyl]-3-n-methylthymine]-3'-spiro-5''-(4''-imino-3''-n-methyl-2''-oxazolidinone)

Structural Information

Molecular Formula
C26H46N4O7Si2
SMILES
CC1=CN(C(=O)N(C1=O)C)[C@H]2[C@@H](C3([C@H](O2)CO[Si](C)(C)C(C)(C)C)C(=N)N(C(=O)O3)C)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C26H46N4O7Si2/c1-16-14-30(22(32)28(8)19(16)31)20-18(37-39(12,13)25(5,6)7)26(21(27)29(9)23(33)36-26)17(35-20)15-34-38(10,11)24(2,3)4/h14,17-18,20,27H,15H2,1-13H3/t17-,18+,20-,26?/m1/s1
InChIKey
BNXVIGHDVGFPLZ-ACEUIBHYSA-N
Compound name
1-[(6R,8R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-imino-3-methyl-2-oxo-1,7-dioxa-3-azaspiro[4.4]nonan-8-yl]-3,5-dimethylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

582.2905 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 583.29778 230.6
[M+Na]+ 605.27972 237.2
[M-H]- 581.28322 238.0
[M+NH4]+ 600.32432 235.7
[M+K]+ 621.25366 238.4
[M+H-H2O]+ 565.28776 227.0
[M+HCOO]- 627.28870 237.8
[M+CH3COO]- 641.30435 258.5
[M+Na-2H]- 603.26517 232.1
[M]+ 582.28995 239.4
[M]- 582.29105 239.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.