CID 493796

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

Structural Information

Molecular Formula
C20H31N3O8SSi
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2[C@@H](C3([C@H](O2)CO)C(=C(S(=O)(=O)O3)C=C)N)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C20H31N3O8SSi/c1-8-12-14(21)20(31-32(12,27)28)13(10-24)29-17(15(20)30-33(6,7)19(3,4)5)23-9-11(2)16(25)22-18(23)26/h8-9,13,15,17,24H,1,10,21H2,2-7H3,(H,22,25,26)/t13-,15+,17-,20?/m1/s1
InChIKey
VRZADLCUITXBCL-KFHDCMLPSA-N
Compound name
1-[(6R,8R,9R)-4-amino-9-[tert-butyl(dimethyl)silyl]oxy-3-ethenyl-6-(hydroxymethyl)-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

501.16013 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 502.16741 207.4
[M+Na]+ 524.14935 216.3
[M-H]- 500.15285 213.2
[M+NH4]+ 519.19395 216.8
[M+K]+ 540.12329 215.1
[M+H-H2O]+ 484.15739 205.2
[M+HCOO]- 546.15833 215.1
[M+CH3COO]- 560.17398 234.0
[M+Na-2H]- 522.13480 209.0
[M]+ 501.15958 214.9
[M]- 501.16068 214.9
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.