CID 114294

Quinolinium, 6-methoxy-1-(phenylmethyl)-, bromide

Structural Information

Molecular Formula
C17H16NO
SMILES
COC1=CC2=C(C=C1)[N+](=CC=C2)CC3=CC=CC=C3
InChI
InChI=1S/C17H16NO/c1-19-16-9-10-17-15(12-16)8-5-11-18(17)13-14-6-3-2-4-7-14/h2-12H,13H2,1H3/q+1
InChIKey
VMEIRNBRMXRIIJ-UHFFFAOYSA-N
Compound name
1-benzyl-6-methoxyquinolin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

250.12318 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.13046 160.3
[M+Na]+ 273.11240 168.5
[M-H]- 249.11590 166.8
[M+NH4]+ 268.15700 176.6
[M+K]+ 289.08634 158.1
[M+H-H2O]+ 233.12044 154.0
[M+HCOO]- 295.12138 181.8
[M+CH3COO]- 309.13703 189.2
[M+Na-2H]- 271.09785 170.3
[M]+ 250.12263 160.4
[M]- 250.12373 160.4
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