CID 453847

Tsao-a3t

Structural Information

Molecular Formula
C27H47N3O8SSi2
SMILES
CC1=CN(C(=O)N(C1=O)CC=C)[C@H]2[C@@H](C3([C@H](O2)CO[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O3)N)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C27H47N3O8SSi2/c1-13-14-29-22(31)18(2)15-30(24(29)32)23-21(37-41(11,12)26(6,7)8)27(19(28)17-39(33,34)38-27)20(36-23)16-35-40(9,10)25(3,4)5/h13,15,17,20-21,23H,1,14,16,28H2,2-12H3/t20-,21+,23-,27?/m1/s1
InChIKey
ZYAASSGDSGTPCS-HEXPWKSXSA-N
Compound name
1-[(6R,8R,9R)-4-amino-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-methyl-3-prop-2-enylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

629.26227 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 630.26955 235.0
[M+Na]+ 652.25149 241.3
[M-H]- 628.25499 242.3
[M+NH4]+ 647.29609 241.3
[M+K]+ 668.22543 242.5
[M+H-H2O]+ 612.25953 233.1
[M+HCOO]- 674.26047 240.1
[M+CH3COO]- 688.27612 260.6
[M+Na-2H]- 650.23694 239.1
[M]+ 629.26172 247.2
[M]- 629.26282 247.2
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.