CID 5273068

(6ar,9s,9as)-2,2,4,4-tetraisopropyl-8-phenyl-6a,8,9,9a-tetrahydro-6h-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-ol

Structural Information

Molecular Formula
C23H40O5Si2
SMILES
CC(C)[Si]1(OC[C@@H]2[C@H]([C@H](C(O2)C3=CC=CC=C3)O)O[Si](O1)(C(C)C)C(C)C)C(C)C
InChI
InChI=1S/C23H40O5Si2/c1-15(2)29(16(3)4)25-14-20-23(27-30(28-29,17(5)6)18(7)8)21(24)22(26-20)19-12-10-9-11-13-19/h9-13,15-18,20-24H,14H2,1-8H3/t20-,21+,22?,23-/m1/s1
InChIKey
GQJICSKFBFQKJV-HNTVYWHESA-N
Compound name
(6aR,9S,9aS)-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]trioxadisilocin-9-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

452.24142 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.24870 204.7
[M+Na]+ 475.23064 207.5
[M-H]- 451.23414 207.8
[M+NH4]+ 470.27524 209.3
[M+K]+ 491.20458 209.0
[M+H-H2O]+ 435.23868 200.8
[M+HCOO]- 497.23962 206.7
[M+CH3COO]- 511.25527 242.6
[M+Na-2H]- 473.21609 198.6
[M]+ 452.24087 205.2
[M]- 452.24197 205.2
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.