CID 13185029

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

Structural Information

Molecular Formula
C50H42N2O2
SMILES
COC1=CC=C(C=C1)C2=CC(=[N+](C(=C2)C3=CC=CC=C3)CC[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/C50H42N2O2/c1-53-45-27-23-37(24-28-45)43-33-47(39-15-7-3-8-16-39)51(48(34-43)40-17-9-4-10-18-40)31-32-52-49(41-19-11-5-12-20-41)35-44(38-25-29-46(54-2)30-26-38)36-50(52)42-21-13-6-14-22-42/h3-30,33-36H,31-32H2,1-2H3/q+2
InChIKey
KGAWGGURMDWZSP-UHFFFAOYSA-N
Compound name
4-(4-methoxyphenyl)-1-[2-[4-(4-methoxyphenyl)-2,6-diphenylpyridin-1-ium-1-yl]ethyl]-2,6-diphenylpyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

702.32465 Da
Monoisotopic Mass

11.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 703.33193 302.6
[M+Na]+ 725.31387 302.4
[M-H]- 701.31737 318.6
[M+NH4]+ 720.35847 293.2
[M+K]+ 741.28781 281.8
[M+H-H2O]+ 685.32191 283.9
[M+HCOO]- 747.32285 312.6
[M+CH3COO]- 761.33850 300.8
[M+Na-2H]- 723.29932 299.8
[M]+ 702.32410 297.3
[M]- 702.32520 297.3
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.