CID 6454529

63149-40-6

Structural Information

Molecular Formula
C33H26ClN8
SMILES
CN1C(=[N+](C2=NC3=CC=CC=C3N=C21)C)CC4N(C5=NC6=C(C=C(C=C6)Cl)N=C5N4C7=CC=CC=C7)C8=CC=CC=C8
InChI
InChI=1S/C33H26ClN8/c1-39-28(40(2)31-30(39)35-24-15-9-10-16-25(24)36-31)20-29-41(22-11-5-3-6-12-22)32-33(42(29)23-13-7-4-8-14-23)38-27-19-21(34)17-18-26(27)37-32/h3-19,29H,20H2,1-2H3/q+1
InChIKey
KXTAUAXWESGDBJ-UHFFFAOYSA-N
Compound name
6-chloro-2-[(1,3-dimethylimidazo[4,5-b]quinoxalin-3-ium-2-yl)methyl]-1,3-diphenyl-2H-imidazo[4,5-b]quinoxaline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

569.1969 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 570.20418 243.7
[M+Na]+ 592.18612 255.3
[M-H]- 568.18962 250.9
[M+NH4]+ 587.23072 243.8
[M+K]+ 608.16006 237.3
[M+H-H2O]+ 552.19416 228.2
[M+HCOO]- 614.19510 247.6
[M+CH3COO]- 628.21075 247.6
[M+Na-2H]- 590.17157 244.3
[M]+ 569.19635 247.9
[M]- 569.19745 247.9
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.