CID 15588614

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

Structural Information

Molecular Formula
C34H36N4O2
SMILES
C1=CC=C(C=C1)C2=C(N3C=CC=CC3=[N+]2CCCCCC[N+]4=C5C=CC=CN5C(=C4C6=CC=CC=C6)CO)CO
InChI
InChI=1S/C34H36N4O2/c39-25-29-33(27-15-5-3-6-16-27)37(31-19-9-13-21-35(29)31)23-11-1-2-12-24-38-32-20-10-14-22-36(32)30(26-40)34(38)28-17-7-4-8-18-28/h3-10,13-22,39-40H,1-2,11-12,23-26H2/q+2
InChIKey
LVYDRJWVSRITQV-UHFFFAOYSA-N
Compound name
[1-[6-[3-(hydroxymethyl)-2-phenylimidazo[1,2-a]pyridin-1-ium-1-yl]hexyl]-2-phenylimidazo[1,2-a]pyridin-1-ium-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

532.2838 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 533.29108 242.9
[M+Na]+ 555.27302 248.7
[M-H]- 531.27652 250.8
[M+NH4]+ 550.31762 245.6
[M+K]+ 571.24696 227.8
[M+H-H2O]+ 515.28106 233.9
[M+HCOO]- 577.28200 256.2
[M+CH3COO]- 591.29765 231.4
[M+Na-2H]- 553.25847 245.3
[M]+ 532.28325 245.2
[M]- 532.28435 245.2
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.