CID 13318865

1h-imidazo(1,2-a)pyridin-4-ium, 1,1'-hexamethylenebis(3-methyl-2-phenyl-, diperchlorate

Structural Information

Molecular Formula
C34H36N4
SMILES
CC1=C([N+](=C2N1C=CC=C2)CCCCCC[N+]3=C4C=CC=CN4C(=C3C5=CC=CC=C5)C)C6=CC=CC=C6
InChI
InChI=1S/C34H36N4/c1-27-33(29-17-7-5-8-18-29)37(31-21-11-15-23-35(27)31)25-13-3-4-14-26-38-32-22-12-16-24-36(32)28(2)34(38)30-19-9-6-10-20-30/h5-12,15-24H,3-4,13-14,25-26H2,1-2H3/q+2
InChIKey
WDVUOSJOJQRACY-UHFFFAOYSA-N
Compound name
3-methyl-1-[6-(3-methyl-2-phenylimidazo[1,2-a]pyridin-1-ium-1-yl)hexyl]-2-phenylimidazo[1,2-a]pyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

500.294 Da
Monoisotopic Mass

9.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 501.30128 241.0
[M+Na]+ 523.28322 248.5
[M-H]- 499.28672 251.0
[M+NH4]+ 518.32782 246.4
[M+K]+ 539.25716 227.2
[M+H-H2O]+ 483.29126 231.2
[M+HCOO]- 545.29220 256.8
[M+CH3COO]- 559.30785 232.2
[M+Na-2H]- 521.26867 242.8
[M]+ 500.29345 243.9
[M]- 500.29455 243.9
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.