CID 84247

14187-31-6

Structural Information

Molecular Formula
C27H27N2
SMILES
CCN1C(=CC=CC=CC2=[N+](C3=CC=CC=C3C=C2)CC)C=CC4=CC=CC=C41
InChI
InChI=1S/C27H27N2/c1-3-28-24(20-18-22-12-8-10-16-26(22)28)14-6-5-7-15-25-21-19-23-13-9-11-17-27(23)29(25)4-2/h5-21H,3-4H2,1-2H3/q+1
InChIKey
HUKKJPBJMKANKC-UHFFFAOYSA-N
Compound name
1-ethyl-2-[5-(1-ethylquinolin-1-ium-2-yl)penta-2,4-dienylidene]quinoline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

12
Patents

379.21744 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.22472 197.1
[M+Na]+ 402.20666 216.6
[M+NH4]+ 397.25126 206.7
[M+K]+ 418.18060 204.3
[M-H]- 378.21016 204.5
[M+Na-2H]- 400.19211 206.0
[M]+ 379.21689 202.6
[M]- 379.21799 202.6
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

patents stripe