CID 5273065

Schembl14190136

Structural Information

Molecular Formula
C22H38O5Si2
SMILES
CC[Si]1(O[C@@H]2[C@@H](CO[Si](O1)(C(C)C)C(C)C)O[C@H]([C@@H]2O)C3=CC=CC=C3)C(C)C
InChI
InChI=1S/C22H38O5Si2/c1-8-28(15(2)3)26-22-19(14-24-29(27-28,16(4)5)17(6)7)25-21(20(22)23)18-12-10-9-11-13-18/h9-13,15-17,19-23H,8,14H2,1-7H3/t19-,20+,21+,22-,28?/m1/s1
InChIKey
FQMOYYYLUKZCSP-XPPMBEBSSA-N
Compound name
(6aR,8S,9S,9aS)-2-ethyl-8-phenyl-2,4,4-tri(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

2
Patents

438.22577 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.23305 201.6
[M+Na]+ 461.21499 204.8
[M-H]- 437.21849 204.8
[M+NH4]+ 456.25959 206.5
[M+K]+ 477.18893 206.1
[M+H-H2O]+ 421.22303 197.7
[M+HCOO]- 483.22397 204.2
[M+CH3COO]- 497.23962 240.9
[M+Na-2H]- 459.20044 196.3
[M]+ 438.22522 202.3
[M]- 438.22632 202.3
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

patents stripe