CID 6174898

86467-58-5

Structural Information

Molecular Formula
C19H18NO
SMILES
C[N+]1=C(C=CC2=CC=CC=C21)/C=C/C3=CC=C(C=C3)OC
InChI
InChI=1S/C19H18NO/c1-20-17(12-10-16-5-3-4-6-19(16)20)11-7-15-8-13-18(21-2)14-9-15/h3-14H,1-2H3/q+1/b11-7+
InChIKey
LWTHOCBZFFQOLY-YRNVUSSQSA-N
Compound name
2-[(E)-2-(4-methoxyphenyl)ethenyl]-1-methylquinolin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1
Patents

276.13882 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.14610 168.9
[M+Na]+ 299.12804 177.5
[M-H]- 275.13154 175.4
[M+NH4]+ 294.17264 184.4
[M+K]+ 315.10198 166.0
[M+H-H2O]+ 259.13608 162.4
[M+HCOO]- 321.13702 189.9
[M+CH3COO]- 335.15267 194.7
[M+Na-2H]- 297.11349 177.0
[M]+ 276.13827 169.3
[M]- 276.13937 169.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.