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 211.3
[M+Na]+ 442.18765 222.7
[M-H]- 418.19115 216.6
[M+NH4]+ 437.23225 218.3
[M+K]+ 458.16159 205.9
[M+H-H2O]+ 402.19569 200.4
[M+HCOO]- 464.19663 227.9
[M+CH3COO]- 478.21228 219.1
[M+Na-2H]- 440.17310 214.4
[M]+ 419.19788 214.5
[M]- 419.19898 214.5
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.