CID 456105

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

Structural Information

Molecular Formula
C22H42N4O6SSi2
SMILES
CC1=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/C22H42N4O6SSi2/c1-15-12-26(25-24-15)19-18(31-35(10,11)21(5,6)7)22(16(23)14-33(27,28)32-22)17(30-19)13-29-34(8,9)20(2,3)4/h12,14,17-19H,13,23H2,1-11H3/t17-,18+,19-,22?/m1/s1
InChIKey
GBDRUBWWLJJIOJ-SHCSQFHYSA-N
Compound name
(6R,8R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-8-(4-methyltriazol-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

546.2364 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 547.24368 218.8
[M+Na]+ 569.22562 225.2
[M-H]- 545.22912 225.6
[M+NH4]+ 564.27022 229.1
[M+K]+ 585.19956 227.4
[M+H-H2O]+ 529.23366 217.8
[M+HCOO]- 591.23460 224.9
[M+CH3COO]- 605.25025 242.3
[M+Na-2H]- 567.21107 222.4
[M]+ 546.23585 228.8
[M]- 546.23695 228.8
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.