CID 472630

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

Structural Information

Molecular Formula
C27H48N4O7Si2
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(=NC)N(C(=O)O3)C)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C27H48N4O7Si2/c1-17-15-31(23(33)29(9)20(17)32)21-19(38-40(13,14)26(5,6)7)27(22(28-8)30(10)24(34)37-27)18(36-21)16-35-39(11,12)25(2,3)4/h15,18-19,21H,16H2,1-14H3/t18-,19+,21-,27?/m1/s1
InChIKey
BUMOZMCLPLLZQK-NDMJWURUSA-N
Compound name
1-[(6R,8R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-4-methylimino-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

596.30615 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 597.31343 234.0
[M+Na]+ 619.29537 240.7
[M-H]- 595.29887 242.5
[M+NH4]+ 614.33997 239.3
[M+K]+ 635.26931 242.3
[M+H-H2O]+ 579.30341 230.0
[M+HCOO]- 641.30435 242.4
[M+CH3COO]- 655.32000 262.5
[M+Na-2H]- 617.28082 235.4
[M]+ 596.30560 244.7
[M]- 596.30670 244.7
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.