CID 15588599

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

Structural Information

Molecular Formula
C28H24N4
SMILES
C1=CC=C(C=C1)C2=C[N+]3=CC=CC=C3N2CCN4C5=CC=CC=[N+]5C=C4C6=CC=CC=C6
InChI
InChI=1S/C28H24N4/c1-3-11-23(12-4-1)25-21-29-17-9-7-15-27(29)31(25)19-20-32-26(24-13-5-2-6-14-24)22-30-18-10-8-16-28(30)32/h1-18,21-22H,19-20H2/q+2
InChIKey
BSHZGKICPGFGCH-UHFFFAOYSA-N
Compound name
2-phenyl-1-[2-(2-phenylimidazo[1,2-a]pyridin-4-ium-1-yl)ethyl]imidazo[1,2-a]pyridin-4-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

416.2001 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.20738 212.4
[M+Na]+ 439.18932 221.2
[M-H]- 415.19282 222.9
[M+NH4]+ 434.23392 220.8
[M+K]+ 455.16326 201.0
[M+H-H2O]+ 399.19736 203.6
[M+HCOO]- 461.19830 230.5
[M+CH3COO]- 475.21395 220.2
[M+Na-2H]- 437.17477 218.9
[M]+ 416.19955 213.1
[M]- 416.20065 213.1
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

patents stripe