CID 5496131

1-ethyl-2-(1-ethyl-6-methyl-1h-quinolin-2-ylidenemethyl)-quinolinium

Structural Information

Molecular Formula
C24H25N2
SMILES
CCN1/C(=C/C2=[N+](C3=C(C=C2)C=C(C=C3)C)CC)/C=CC4=CC=CC=C41
InChI
InChI=1S/C24H25N2/c1-4-25-21(13-11-19-8-6-7-9-23(19)25)17-22-14-12-20-16-18(3)10-15-24(20)26(22)5-2/h6-17H,4-5H2,1-3H3/q+1
InChIKey
GPPWKLYXSJVUGO-UHFFFAOYSA-N
Compound name
1-ethyl-2-[(E)-(1-ethylquinolin-2-ylidene)methyl]-6-methylquinolin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.20178 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.20906 191.1
[M+Na]+ 364.19100 199.4
[M-H]- 340.19450 196.6
[M+NH4]+ 359.23560 203.7
[M+K]+ 380.16494 185.5
[M+H-H2O]+ 324.19904 182.4
[M+HCOO]- 386.19998 206.7
[M+CH3COO]- 400.21563 210.7
[M+Na-2H]- 362.17645 196.8
[M]+ 341.20123 190.0
[M]- 341.20233 190.0
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.