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

1
Patents

454.1964 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.20368 210.3
[M+Na]+ 477.18562 218.3
[M-H]- 453.18912 213.8
[M+NH4]+ 472.23022 221.1
[M+K]+ 493.15956 207.1
[M+H-H2O]+ 437.19366 192.8
[M+HCOO]- 499.19460 211.7
[M+CH3COO]- 513.21025 215.1
[M+Na-2H]- 475.17107 218.0
[M]+ 454.19585 207.5
[M]- 454.19695 207.5
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

patents stripe