CID 5271318

(6as,8r,9r,9as)-2,2,4,4-tetraisopropyl-9-methoxy-8-phenyl-6a,8,9,9a-tetrahydro-6h-furo[3,2-f][1,3,5,2,4]trioxadisilocine

Structural Information

Molecular Formula
C24H42O5Si2
SMILES
CC(C)[Si]1(OC[C@H]2[C@@H]([C@@H]([C@H](O2)C3=CC=CC=C3)OC)O[Si](O1)(C(C)C)C(C)C)C(C)C
InChI
InChI=1S/C24H42O5Si2/c1-16(2)30(17(3)4)26-15-21-23(28-31(29-30,18(5)6)19(7)8)24(25-9)22(27-21)20-13-11-10-12-14-20/h10-14,16-19,21-24H,15H2,1-9H3/t21-,22+,23-,24+/m0/s1
InChIKey
GLMCDPHZYLGOAQ-UARRHKHWSA-N
Compound name
(6aS,8R,9R,9aS)-9-methoxy-8-phenyl-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

466.25708 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.26436 207.3
[M+Na]+ 489.24630 210.2
[M-H]- 465.24980 211.0
[M+NH4]+ 484.29090 212.0
[M+K]+ 505.22024 211.9
[M+H-H2O]+ 449.25434 203.3
[M+HCOO]- 511.25528 209.8
[M+CH3COO]- 525.27093 244.7
[M+Na-2H]- 487.23175 201.1
[M]+ 466.25653 208.7
[M]- 466.25763 208.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.