CID 90926

Einecs 245-658-1

Structural Information

Molecular Formula
C28H27N6
SMILES
CC1=C(C(=NN1C2=CC=CC=C2)C)C=CC3=[N+](C4=NC5=CC=CC=C5N=C4N3CC=C)CC=C
InChI
InChI=1S/C28H27N6/c1-5-18-32-26(17-16-23-20(3)31-34(21(23)4)22-12-8-7-9-13-22)33(19-6-2)28-27(32)29-24-14-10-11-15-25(24)30-28/h5-17H,1-2,18-19H2,3-4H3/q+1
InChIKey
ZHGOQJLJDWFVIC-UHFFFAOYSA-N
Compound name
2-[2-(3,5-dimethyl-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

447.2297 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.23698 212.6
[M+Na]+ 470.21892 233.2
[M+NH4]+ 465.26352 219.2
[M+K]+ 486.19286 226.5
[M-H]- 446.22242 218.5
[M+Na-2H]- 468.20437 221.2
[M]+ 447.22915 217.7
[M]- 447.23025 217.7
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.