CID 6447370

2-styryl-n-methyl-8-hydroxyquinolinium chloride

Structural Information

Molecular Formula
C18H16NO
SMILES
C[N+]1=C(C=CC2=C1C(=CC=C2)O)/C=C/C3=CC=CC=C3
InChI
InChI=1S/C18H15NO/c1-19-16(12-10-14-6-3-2-4-7-14)13-11-15-8-5-9-17(20)18(15)19/h2-13H,1H3/p+1/b12-10+
InChIKey
XMKOFXUYQBEOPS-ZRDIBKRKSA-O
Compound name
1-methyl-2-[(E)-2-phenylethenyl]quinolin-1-ium-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.1232 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.13048 164.0
[M+Na]+ 285.11242 172.7
[M-H]- 261.11592 169.5
[M+NH4]+ 280.15702 179.5
[M+K]+ 301.08636 160.6
[M+H-H2O]+ 245.12046 158.3
[M+HCOO]- 307.12140 184.0
[M+CH3COO]- 321.13705 189.1
[M+Na-2H]- 283.09787 172.5
[M]+ 262.12265 162.4
[M]- 262.12375 162.4
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

No patent data available for this compound.