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 289.5
[M+Na]+ 807.33096 288.3
[M-H]- 783.33446 302.8
[M+NH4]+ 802.37556 278.7
[M+K]+ 823.30490 275.1
[M+H-H2O]+ 767.33900 261.6
[M+HCOO]- 829.33994 294.2
[M+CH3COO]- 843.35559 286.0
[M+Na-2H]- 805.31641 285.1
[M]+ 784.34119 278.3
[M]- 784.34229 278.3
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.