CID 5485635

6270-81-1

Structural Information

Molecular Formula
C25H27N2
SMILES
CCN1/C(=C/C2=C3C=C(C=CC3=[N+](C=C2)CC)C)/C=CC4=C1C=CC(=C4)C
InChI
InChI=1S/C25H27N2/c1-5-26-14-13-20(23-16-19(4)8-12-25(23)26)17-22-10-9-21-15-18(3)7-11-24(21)27(22)6-2/h7-17H,5-6H2,1-4H3/q+1
InChIKey
KQBYHJFCDZUARI-UHFFFAOYSA-N
Compound name
(2E)-1-ethyl-2-[(1-ethyl-6-methylquinolin-1-ium-4-yl)methylidene]-6-methylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.21744 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.22472 196.1
[M+Na]+ 378.20666 204.7
[M-H]- 354.21016 201.7
[M+NH4]+ 373.25126 208.3
[M+K]+ 394.18060 190.7
[M+H-H2O]+ 338.21470 187.3
[M+HCOO]- 400.21564 211.3
[M+CH3COO]- 414.23129 214.8
[M+Na-2H]- 376.19211 200.5
[M]+ 355.21689 195.7
[M]- 355.21799 195.7
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.