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 223.5
[M+Na]+ 467.22060 233.0
[M-H]- 443.22410 234.3
[M+NH4]+ 462.26520 231.2
[M+K]+ 483.19454 212.4
[M+H-H2O]+ 427.22864 214.6
[M+HCOO]- 489.22958 240.8
[M+CH3COO]- 503.24523 230.9
[M+Na-2H]- 465.20605 227.4
[M]+ 444.23083 225.5
[M]- 444.23193 225.5
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.