CID 462210

[1-[5',6'-o(tetraisopropyldisiloxan-1,3-diyl)-.beta.-d-allofuranosyl]thymine]-3'-spiro-5""""""""-(4""""""""-amino-1"""""""",2""""""""-oxathiole-2"""""""",2""""""""-dioxide)

Structural Information

Molecular Formula
C25H43N3O10SSi2
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2[C@@H](C3([C@H](O2)C4CO[Si](O[Si](O4)(C(C)C)C(C)C)(C(C)C)C(C)C)C(=CS(=O)(=O)O3)N)O
InChI
InChI=1S/C25H43N3O10SSi2/c1-13(2)40(14(3)4)34-11-18(36-41(38-40,15(5)6)16(7)8)21-25(19(26)12-39(32,33)37-25)20(29)23(35-21)28-10-17(9)22(30)27-24(28)31/h10,12-16,18,20-21,23,29H,11,26H2,1-9H3,(H,27,30,31)/t18?,20-,21+,23+,25?/m0/s1
InChIKey
MPDAVIVWVLYBME-NGEYNUHGSA-N
Compound name
1-[(6R,8R,9R)-4-amino-9-hydroxy-2,2-dioxo-6-[2,2,4,4-tetra(propan-2-yl)-1,3,5,2,4-trioxadisilepan-6-yl]-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

0
References

0
Patents

633.22076 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 634.22804 199.3
[M+Na]+ 656.20998 197.1
[M-H]- 632.21348 196.7
[M+NH4]+ 651.25458 198.9
[M+K]+ 672.18392 185.9
[M+H-H2O]+ 616.21802 224.2
[M+HCOO]- 678.21896 201.4
[M+CH3COO]- 692.23461 257.8
[M+Na-2H]- 654.19543 216.4
[M]+ 633.22021 213.0
[M]- 633.22131 213.0
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.