CID 15588580

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

Structural Information

Molecular Formula
C30H28N4
SMILES
CC1=C([N+](=C2N1C=CC=C2)CC[N+]3=C4C=CC=CN4C(=C3C5=CC=CC=C5)C)C6=CC=CC=C6
InChI
InChI=1S/C30H28N4/c1-23-29(25-13-5-3-6-14-25)33(27-17-9-11-19-31(23)27)21-22-34-28-18-10-12-20-32(28)24(2)30(34)26-15-7-4-8-16-26/h3-20H,21-22H2,1-2H3/q+2
InChIKey
MGIRSUMXRWIBAQ-UHFFFAOYSA-N
Compound name
3-methyl-1-[2-(3-methyl-2-phenylimidazo[1,2-a]pyridin-1-ium-1-yl)ethyl]-2-phenylimidazo[1,2-a]pyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

444.23138 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.23866 209.7
[M+Na]+ 467.22060 234.1
[M+NH4]+ 462.26520 220.5
[M+K]+ 483.19454 226.6
[M-H]- 443.22410 221.9
[M+Na-2H]- 465.20605 223.6
[M]+ 444.23083 217.9
[M]- 444.23193 217.9
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.