CID 13185031

1,1'-(1,6-hexanediyl)bis(4-(4-methoxyphenyl)-2,6-diphenylpyridinium) diperchlorate

Structural Information

Molecular Formula
C54H50N2O2
SMILES
COC1=CC=C(C=C1)C2=CC(=[N+](C(=C2)C3=CC=CC=C3)CCCCCC[N+]4=C(C=C(C=C4C5=CC=CC=C5)C6=CC=C(C=C6)OC)C7=CC=CC=C7)C8=CC=CC=C8
InChI
InChI=1S/C54H50N2O2/c1-57-49-31-27-41(28-32-49)47-37-51(43-19-9-5-10-20-43)55(52(38-47)44-21-11-6-12-22-44)35-17-3-4-18-36-56-53(45-23-13-7-14-24-45)39-48(42-29-33-50(58-2)34-30-42)40-54(56)46-25-15-8-16-26-46/h5-16,19-34,37-40H,3-4,17-18,35-36H2,1-2H3/q+2
InChIKey
SNMFYCCSWIPGRS-UHFFFAOYSA-N
Compound name
4-(4-methoxyphenyl)-1-[6-[4-(4-methoxyphenyl)-2,6-diphenylpyridin-1-ium-1-yl]hexyl]-2,6-diphenylpyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

758.3872 Da
Monoisotopic Mass

12.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 759.39448 304.0
[M+Na]+ 781.37642 330.5
[M+NH4]+ 776.42102 312.3
[M+K]+ 797.35036 313.4
[M-H]- 757.37992 323.9
[M+Na-2H]- 779.36187 322.0
[M]+ 758.38665 315.0
[M]- 758.38775 315.0
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.