CID 456086

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

Structural Information

Molecular Formula
C25H48N4O6SSi2
SMILES
CCCCC1=CN(N=N1)[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/C25H48N4O6SSi2/c1-12-13-14-18-15-29(28-27-18)22-21(34-38(10,11)24(5,6)7)25(19(26)17-36(30,31)35-25)20(33-22)16-32-37(8,9)23(2,3)4/h15,17,20-22H,12-14,16,26H2,1-11H3/t20-,21+,22-,25?/m1/s1
InChIKey
KSWRNWJKPNMQGD-YKSPXJAFSA-N
Compound name
(6R,8R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-8-(4-butyltriazol-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

588.2833 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 589.29058 230.6
[M+Na]+ 611.27252 235.6
[M-H]- 587.27602 236.9
[M+NH4]+ 606.31712 239.2
[M+K]+ 627.24646 237.4
[M+H-H2O]+ 571.28056 229.1
[M+HCOO]- 633.28150 235.7
[M+CH3COO]- 647.29715 250.5
[M+Na-2H]- 609.25797 233.1
[M]+ 588.28275 241.5
[M]- 588.28385 241.5
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.