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
3
Annotation Hits

0
References

18
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 202.9
[M+Na]+ 402.20666 209.6
[M-H]- 378.21016 207.4
[M+NH4]+ 397.25126 213.5
[M+K]+ 418.18060 193.7
[M+H-H2O]+ 362.21470 193.5
[M+HCOO]- 424.21564 217.8
[M+CH3COO]- 438.23129 215.4
[M+Na-2H]- 400.19211 207.6
[M]+ 379.21689 200.7
[M]- 379.21799 200.7
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

patents stripe