CID 3077367

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

Structural Information

Molecular Formula
C29H30O3Si
SMILES
CCCC12COC(OC1)(OC2)C3=CC=C(C=C3)C#C[Si](C)(C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C29H30O3Si/c1-3-19-28-21-30-29(31-22-28,32-23-28)25-16-14-24(15-17-25)18-20-33(2,26-10-6-4-7-11-26)27-12-8-5-9-13-27/h4-17H,3,19,21-23H2,1-2H3
InChIKey
AJEQUDXCKPXDHP-UHFFFAOYSA-N
Compound name
methyl-diphenyl-[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

454.1964 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.20368 216.1
[M+Na]+ 477.18562 230.3
[M+NH4]+ 472.23022 224.5
[M+K]+ 493.15956 213.7
[M-H]- 453.18912 216.0
[M+Na-2H]- 475.17107 217.7
[M]+ 454.19585 218.2
[M]- 454.19695 218.2
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.