CID 4085658

3,3,6,6-tetrabenzyl-1,2,4,5-tetraphenyl-1,2,4,5-tetraaza-3,6-disilacyclohexane

Structural Information

Molecular Formula
C52H48N4Si2
SMILES
C1=CC=C(C=C1)C[Si]2(N(N([Si](N(N2C3=CC=CC=C3)C4=CC=CC=C4)(CC5=CC=CC=C5)CC6=CC=CC=C6)C7=CC=CC=C7)C8=CC=CC=C8)CC9=CC=CC=C9
InChI
InChI=1S/C52H48N4Si2/c1-9-25-45(26-10-1)41-57(42-46-27-11-2-12-28-46)53(49-33-17-5-18-34-49)55(51-37-21-7-22-38-51)58(43-47-29-13-3-14-30-47,44-48-31-15-4-16-32-48)56(52-39-23-8-24-40-52)54(57)50-35-19-6-20-36-50/h1-40H,41-44H2
InChIKey
VGSIHXSOJFELFC-UHFFFAOYSA-N
Compound name
3,3,6,6-tetrabenzyl-1,2,4,5-tetraphenyl-1,2,4,5,3,6-tetrazadisilinane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

784.34174 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 785.34902 293.1
[M+Na]+ 807.33096 316.0
[M+NH4]+ 802.37556 302.0
[M+K]+ 823.30490 295.3
[M-H]- 783.33446 310.3
[M+Na-2H]- 805.31641 312.9
[M]+ 784.34119 302.3
[M]- 784.34229 302.3
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

No patent data available for this compound.