CID 11735405

1,1'-[biphenyl-4,4'-diylbis(methylene)]bis(4,4'-bipyridinium) dibromide

Structural Information

Molecular Formula
C34H28N4
SMILES
C1=CC(=CC=C1C[N+]2=CC=C(C=C2)C3=CC=NC=C3)C4=CC=C(C=C4)C[N+]5=CC=C(C=C5)C6=CC=NC=C6
InChI
InChI=1S/C34H28N4/c1-5-29(6-2-27(1)25-37-21-13-33(14-22-37)31-9-17-35-18-10-31)30-7-3-28(4-8-30)26-38-23-15-34(16-24-38)32-11-19-36-20-12-32/h1-24H,25-26H2/q+2
InChIKey
MNSHVHVDAHCOAJ-UHFFFAOYSA-N
Compound name
4-pyridin-4-yl-1-[[4-[4-[(4-pyridin-4-ylpyridin-1-ium-1-yl)methyl]phenyl]phenyl]methyl]pyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

492.23138 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 493.23866 240.8
[M+Na]+ 515.22060 244.4
[M-H]- 491.22410 251.5
[M+NH4]+ 510.26520 238.5
[M+K]+ 531.19454 222.3
[M+H-H2O]+ 475.22864 226.8
[M+HCOO]- 537.22958 253.7
[M+CH3COO]- 551.24523 243.8
[M+Na-2H]- 513.20605 246.9
[M]+ 492.23083 234.9
[M]- 492.23193 234.9
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.