CID 13185035

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

Structural Information

Molecular Formula
C56H56N4
SMILES
CN(C)C1=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)N(C)C)C7=CC=CC=C7)C8=CC=CC=C8
InChI
InChI=1S/C56H56N4/c1-57(2)51-33-29-43(30-34-51)49-39-53(45-21-11-7-12-22-45)59(54(40-49)46-23-13-8-14-24-46)37-19-5-6-20-38-60-55(47-25-15-9-16-26-47)41-50(42-56(60)48-27-17-10-18-28-48)44-31-35-52(36-32-44)58(3)4/h7-18,21-36,39-42H,5-6,19-20,37-38H2,1-4H3/q+2
InChIKey
JVWRREYYXCGGDB-UHFFFAOYSA-N
Compound name
4-[1-[6-[4-[4-(dimethylamino)phenyl]-2,6-diphenylpyridin-1-ium-1-yl]hexyl]-2,6-diphenylpyridin-1-ium-4-yl]-N,N-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

784.4505 Da
Monoisotopic Mass

13.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 785.45778 315.8
[M+Na]+ 807.43972 311.7
[M-H]- 783.44322 332.3
[M+NH4]+ 802.48432 303.8
[M+K]+ 823.41366 291.4
[M+H-H2O]+ 767.44776 296.2
[M+HCOO]- 829.44870 326.3
[M+CH3COO]- 843.46435 288.8
[M+Na-2H]- 805.42517 311.5
[M]+ 784.44995 311.1
[M]- 784.45105 311.1
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.