CID 73555637

63149-42-8

Structural Information

Molecular Formula
C26H23N6
SMILES
C=CCN1C(=[N+](C2=NC3=CC=CC=C3N=C21)CC=C)C=CC4=CN(N=C4)C5=CC=CC=C5
InChI
InChI=1S/C26H23N6/c1-3-16-30-24(15-14-20-18-27-32(19-20)21-10-6-5-7-11-21)31(17-4-2)26-25(30)28-22-12-8-9-13-23(22)29-26/h3-15,18-19H,1-2,16-17H2/q+1
InChIKey
CCTKSTKCTIUGKW-UHFFFAOYSA-N
Compound name
2-[2-(1-phenylpyrazol-4-yl)ethenyl]-1,3-bis(prop-2-enyl)imidazo[4,5-b]quinoxalin-3-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.19843 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.20571 201.8
[M+Na]+ 442.18765 222.1
[M+NH4]+ 437.23225 208.8
[M+K]+ 458.16159 215.6
[M-H]- 418.19115 207.5
[M+Na-2H]- 440.17310 211.6
[M]+ 419.19788 206.8
[M]- 419.19898 206.8
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.