CID 15588582

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

Structural Information

Molecular Formula
C36H40N4
SMILES
CCC1=C([N+](=C2N1C=CC=C2)CCCCCC[N+]3=C4C=CC=CN4C(=C3C5=CC=CC=C5)CC)C6=CC=CC=C6
InChI
InChI=1S/C36H40N4/c1-3-31-35(29-19-9-7-10-20-29)39(33-23-13-17-25-37(31)33)27-15-5-6-16-28-40-34-24-14-18-26-38(34)32(4-2)36(40)30-21-11-8-12-22-30/h7-14,17-26H,3-6,15-16,27-28H2,1-2H3/q+2
InChIKey
VSFJPSRHSSNSCX-UHFFFAOYSA-N
Compound name
3-ethyl-1-[6-(3-ethyl-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

528.3253 Da
Monoisotopic Mass

9.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 529.33258 249.6
[M+Na]+ 551.31452 256.1
[M-H]- 527.31802 259.2
[M+NH4]+ 546.35912 253.8
[M+K]+ 567.28846 234.5
[M+H-H2O]+ 511.32256 239.3
[M+HCOO]- 573.32350 264.6
[M+CH3COO]- 587.33915 237.5
[M+Na-2H]- 549.29997 250.3
[M]+ 528.32475 253.0
[M]- 528.32585 253.0
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.