CID 3077366

Silane, dimethylphenyl((4-(4-propyl-2,6,7-trioxabicyclo(2.2.2)oct-1-yl)phenyl)ethynyl)-

Structural Information

Molecular Formula
C24H28O3Si
SMILES
CCCC12COC(OC1)(OC2)C3=CC=C(C=C3)C#C[Si](C)(C)C4=CC=CC=C4
InChI
InChI=1S/C24H28O3Si/c1-4-15-23-17-25-24(26-18-23,27-19-23)21-12-10-20(11-13-21)14-16-28(2,3)22-8-6-5-7-9-22/h5-13H,4,15,17-19H2,1-3H3
InChIKey
GRCGVXKXMDESKL-UHFFFAOYSA-N
Compound name
dimethyl-phenyl-[2-[4-(4-propyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)phenyl]ethynyl]silane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.1808 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.18808 199.4
[M+Na]+ 415.17002 212.1
[M+NH4]+ 410.21462 207.7
[M+K]+ 431.14396 197.0
[M-H]- 391.17352 197.0
[M+Na-2H]- 413.15547 199.1
[M]+ 392.18025 200.5
[M]- 392.18135 200.5
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.