CID 456092

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

Structural Information

Molecular Formula
C26H50N4O8SSi2
SMILES
CCOC(C1=CN=NN1[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)OCC
InChI
InChI=1S/C26H50N4O8SSi2/c1-13-33-23(34-14-2)18-15-28-29-30(18)22-21(37-41(11,12)25(6,7)8)26(19(27)17-39(31,32)38-26)20(36-22)16-35-40(9,10)24(3,4)5/h15,17,20-23H,13-14,16,27H2,1-12H3/t20-,21+,22-,26?/m1/s1
InChIKey
RJNCUZQJIYVUCB-CHJIAWOGSA-N
Compound name
(6R,8R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-8-[5-(diethoxymethyl)triazol-1-yl]-2,2-dioxo-1,7-dioxa-2lambda6-thiaspiro[4.4]non-3-en-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

634.2888 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 635.29608 236.8
[M+Na]+ 657.27802 239.9
[M-H]- 633.28152 242.9
[M+NH4]+ 652.32262 243.1
[M+K]+ 673.25196 244.0
[M+H-H2O]+ 617.28606 235.9
[M+HCOO]- 679.28700 240.9
[M+CH3COO]- 693.30265 258.2
[M+Na-2H]- 655.26347 240.1
[M]+ 634.28825 250.2
[M]- 634.28935 250.2
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.