CID 493783

[1-[2',5'-bis-o-(tert-butyldimethylsilyl)-.beta.-d-ribofuranosyl]thymine]-3'-spiro-5""-(4""-amino-3""-bromo-1"",2""-oxathiole-2"",2""-dioxide)

Structural Information

Molecular Formula
C24H42BrN3O8SSi2
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(=C(S(=O)(=O)O3)Br)N)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C24H42BrN3O8SSi2/c1-14-12-28(21(30)27-19(14)29)20-17(35-39(10,11)23(5,6)7)24(16(26)18(25)37(31,32)36-24)15(34-20)13-33-38(8,9)22(2,3)4/h12,15,17,20H,13,26H2,1-11H3,(H,27,29,30)/t15-,17+,20-,24?/m1/s1
InChIKey
GJCJARHLMQOCIA-PGCSCVJBSA-N
Compound name
1-[(6R,8R,9R)-4-amino-3-bromo-9-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dioxo-1,7-dioxa-2lambda6-thiaspiro[4.4]non-3-en-8-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

667.1415 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 668.14878 225.5
[M+Na]+ 690.13072 234.7
[M-H]- 666.13422 233.9
[M+NH4]+ 685.17532 233.9
[M+K]+ 706.10466 228.0
[M+H-H2O]+ 650.13876 229.4
[M+HCOO]- 712.13970 228.7
[M+CH3COO]- 726.15535 255.9
[M+Na-2H]- 688.11617 231.7
[M]+ 667.14095 252.9
[M]- 667.14205 252.9
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.