CID 15588586

1h-imidazo(1,2-a)pyridin-4-ium, 1,1'-octamethylenebis(2-phenyl-, diperchlorate

Structural Information

Molecular Formula
C34H36N4
SMILES
C1=CC=C(C=C1)C2=C[N+]3=CC=CC=C3N2CCCCCCCCN4C5=CC=CC=[N+]5C=C4C6=CC=CC=C6
InChI
InChI=1S/C34H36N4/c1(3-13-25-37-31(29-17-7-5-8-18-29)27-35-23-15-11-21-33(35)37)2-4-14-26-38-32(30-19-9-6-10-20-30)28-36-24-16-12-22-34(36)38/h5-12,15-24,27-28H,1-4,13-14,25-26H2/q+2
InChIKey
SQKSZXAVSLIAPA-UHFFFAOYSA-N
Compound name
2-phenyl-1-[8-(2-phenylimidazo[1,2-a]pyridin-4-ium-1-yl)octyl]imidazo[1,2-a]pyridin-4-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

500.294 Da
Monoisotopic Mass

9.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 501.30128 238.5
[M+Na]+ 523.28322 244.3
[M-H]- 499.28672 247.7
[M+NH4]+ 518.32782 243.3
[M+K]+ 539.25716 223.1
[M+H-H2O]+ 483.29126 228.3
[M+HCOO]- 545.29220 254.3
[M+CH3COO]- 559.30785 230.1
[M+Na-2H]- 521.26867 241.7
[M]+ 500.29345 240.6
[M]- 500.29455 240.6
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.