CID 15958336

1-[(5r,6r,8r,9r)-9-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-iodo-3,3-dioxo-4,7-dioxa-3$l^{6}-thiaspiro[4.4]non-1-en-8-yl]-3,5-dimethyl-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C25H43IN2O8SSi2
SMILES
CC1=CN(C(=O)N(C1=O)C)[C@H]2[C@@H]([C@@]3(C=C(S(=O)(=O)O3)I)[C@H](O2)CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C25H43IN2O8SSi2/c1-16-14-28(22(30)27(8)20(16)29)21-19(35-39(11,12)24(5,6)7)25(13-18(26)37(31,32)36-25)17(34-21)15-33-38(9,10)23(2,3)4/h13-14,17,19,21H,15H2,1-12H3/t17-,19+,21-,25-/m1/s1
InChIKey
HYRYDXCWZIKURM-RAFPRUQASA-N
Compound name
1-[(5R,6R,8R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-iodo-2,2-dioxo-1,7-dioxa-2lambda6-thiaspiro[4.4]non-3-en-8-yl]-3,5-dimethylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

714.1323 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 715.13958 237.2
[M+Na]+ 737.12152 238.2
[M-H]- 713.12502 238.4
[M+NH4]+ 732.16612 241.0
[M+K]+ 753.09546 245.6
[M+H-H2O]+ 697.12956 232.0
[M+HCOO]- 759.13050 238.3
[M+CH3COO]- 773.14615 257.3
[M+Na-2H]- 735.10697 230.3
[M]+ 714.13175 247.7
[M]- 714.13285 247.7
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.