CID 472628

[1-[2',5'-bis-o-(tert-butyldimethylsilyl)-.beta.-d-xylofuranosyl]thymine]-3'-spiro-5''-(4''-amino-2''-oxazolone)

Structural Information

Molecular Formula
C24H42N4O7Si2
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(=NC(=O)O3)N)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C24H42N4O7Si2/c1-14-12-28(20(30)26-17(14)29)18-16(35-37(10,11)23(5,6)7)24(19(25)27-21(31)34-24)15(33-18)13-32-36(8,9)22(2,3)4/h12,15-16,18H,13H2,1-11H3,(H2,25,27,31)(H,26,29,30)/t15-,16+,18-,24?/m1/s1
InChIKey
WRPFISMCJXSGHJ-KNWJAATFSA-N
Compound name
1-[(6R,8R,9R)-4-amino-9-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxo-1,7-dioxa-3-azaspiro[4.4]non-3-en-8-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

554.2592 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 555.26648 225.9
[M+Na]+ 577.24842 231.8
[M-H]- 553.25192 231.5
[M+NH4]+ 572.29302 230.7
[M+K]+ 593.22236 232.7
[M+H-H2O]+ 537.25646 221.5
[M+HCOO]- 599.25740 232.9
[M+CH3COO]- 613.27305 248.0
[M+Na-2H]- 575.23387 228.3
[M]+ 554.25865 232.4
[M]- 554.25975 232.4
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.