CID 15588590

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

Structural Information

Molecular Formula
C32H32N4
SMILES
CC1=C([N+](=C2N1C=CC=C2)CCCC[N+]3=C4C=CC=CN4C(=C3C5=CC=CC=C5)C)C6=CC=CC=C6
InChI
InChI=1S/C32H32N4/c1-25-31(27-15-5-3-6-16-27)35(29-19-9-11-21-33(25)29)23-13-14-24-36-30-20-10-12-22-34(30)26(2)32(36)28-17-7-4-8-18-28/h3-12,15-22H,13-14,23-24H2,1-2H3/q+2
InChIKey
FIAFNOPOZDANFF-UHFFFAOYSA-N
Compound name
3-methyl-1-[4-(3-methyl-2-phenylimidazo[1,2-a]pyridin-1-ium-1-yl)butyl]-2-phenylimidazo[1,2-a]pyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

472.2627 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.26998 232.3
[M+Na]+ 495.25192 240.8
[M-H]- 471.25542 242.7
[M+NH4]+ 490.29652 238.9
[M+K]+ 511.22586 219.8
[M+H-H2O]+ 455.25996 223.0
[M+HCOO]- 517.26090 248.8
[M+CH3COO]- 531.27655 226.9
[M+Na-2H]- 493.23737 235.2
[M]+ 472.26215 234.7
[M]- 472.26325 234.7
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.