CID 5487713

Fazadinium

Structural Information

Molecular Formula
C28H24N6
SMILES
CC1=C(N(C2=CC=CC=[N+]12)/N=N/N3C4=CC=CC=[N+]4C(=C3C5=CC=CC=C5)C)C6=CC=CC=C6
InChI
InChI=1S/C28H24N6/c1-21-27(23-13-5-3-6-14-23)33(25-17-9-11-19-31(21)25)29-30-34-26-18-10-12-20-32(26)22(2)28(34)24-15-7-4-8-16-24/h3-20H,1-2H3/q+2/b30-29+
InChIKey
NJAGGYXZTILBMJ-QVIHXGFCSA-N
Compound name
(E)-bis(3-methyl-2-phenylimidazo[1,2-a]pyridin-4-ium-1-yl)diazene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

4
References

637
Patents

444.20624 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.21352 205.2
[M+Na]+ 467.19546 228.6
[M+NH4]+ 462.24006 215.7
[M+K]+ 483.16940 221.8
[M-H]- 443.19896 218.6
[M+Na-2H]- 465.18091 220.3
[M]+ 444.20569 213.4
[M]- 444.20679 213.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe