CID 456095

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

Structural Information

Molecular Formula
C24H46N4O6SSi2
SMILES
CCCC1=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
InChI
InChI=1S/C24H46N4O6SSi2/c1-12-13-17-14-26-27-28(17)21-20(33-37(10,11)23(5,6)7)24(18(25)16-35(29,30)34-24)19(32-21)15-31-36(8,9)22(2,3)4/h14,16,19-21H,12-13,15,25H2,1-11H3/t19-,20+,21-,24?/m1/s1
InChIKey
DREDBEUOUIWRTP-KYODYMDSSA-N
Compound name
(6R,8R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dioxo-8-(5-propyltriazol-1-yl)-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

574.26764 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 575.27492 226.7
[M+Na]+ 597.25686 232.1
[M-H]- 573.26036 233.1
[M+NH4]+ 592.30146 235.8
[M+K]+ 613.23080 234.1
[M+H-H2O]+ 557.26490 225.4
[M+HCOO]- 619.26584 232.1
[M+CH3COO]- 633.28149 247.8
[M+Na-2H]- 595.24231 229.6
[M]+ 574.26709 237.3
[M]- 574.26819 237.3
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.