CID 6448043

2-(2-(2,5-dimethoxyphenyl)ethenyl)-1-ethylquinolinium iodide

Structural Information

Molecular Formula
C21H22NO2
SMILES
CC[N+]1=C(C=CC2=CC=CC=C21)/C=C/C3=C(C=CC(=C3)OC)OC
InChI
InChI=1S/C21H22NO2/c1-4-22-18(11-9-16-7-5-6-8-20(16)22)12-10-17-15-19(23-2)13-14-21(17)24-3/h5-15H,4H2,1-3H3/q+1/b12-10+
InChIKey
QDJWKESXFOEHOX-ZRDIBKRKSA-N
Compound name
2-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-1-ethylquinolin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.16504 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.17232 181.9
[M+Na]+ 343.15426 190.3
[M-H]- 319.15776 188.5
[M+NH4]+ 338.19886 195.9
[M+K]+ 359.12820 179.1
[M+H-H2O]+ 303.16230 174.9
[M+HCOO]- 365.16324 202.3
[M+CH3COO]- 379.17889 203.7
[M+Na-2H]- 341.13971 188.3
[M]+ 320.16449 184.8
[M]- 320.16559 184.8
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.