CID 13318867

1h-imidazo(1,2-a)pyridin-4-ium, 1,1'-hexamethylenebis(2-phenyl-5,6,7,8-tetrahydro-, diperchlorate

Structural Information

Molecular Formula
C32H40N4
SMILES
C1CC[N+]2=C(C1)N(C(=C2)C3=CC=CC=C3)CCCCCCN4C5=[N+](CCCC5)C=C4C6=CC=CC=C6
InChI
InChI=1S/C32H40N4/c1(11-23-35-29(27-15-5-3-6-16-27)25-33-21-13-9-19-31(33)35)2-12-24-36-30(28-17-7-4-8-18-28)26-34-22-14-10-20-32(34)36/h3-8,15-18,25-26H,1-2,9-14,19-24H2/q+2
InChIKey
DIBMQVANFLNDAS-UHFFFAOYSA-N
Compound name
2-phenyl-1-[6-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-4-ium-1-yl)hexyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-4-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

480.3253 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.33258 230.8
[M+Na]+ 503.31452 232.9
[M-H]- 479.31802 238.4
[M+NH4]+ 498.35912 236.1
[M+K]+ 519.28846 212.7
[M+H-H2O]+ 463.32256 220.5
[M+HCOO]- 525.32350 241.0
[M+CH3COO]- 539.33915 226.2
[M+Na-2H]- 501.29997 230.5
[M]+ 480.32475 225.7
[M]- 480.32585 225.7
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.