CID 6447368

8-hydroxy-2-(p-methoxystyryl)-1-methylquinolinium methylsulfate

Structural Information

Molecular Formula
C19H18NO2
SMILES
C[N+]1=C(C=CC2=C1C(=CC=C2)O)/C=C/C3=CC=C(C=C3)OC
InChI
InChI=1S/C19H17NO2/c1-20-16(10-6-14-7-12-17(22-2)13-8-14)11-9-15-4-3-5-18(21)19(15)20/h3-13H,1-2H3/p+1/b10-6+
InChIKey
WJOSSAONKYRCCX-UXBLZVDNSA-O
Compound name
2-[(E)-2-(4-methoxyphenyl)ethenyl]-1-methylquinolin-1-ium-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.13376 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.14104 167.7
[M+Na]+ 315.12298 186.6
[M+NH4]+ 310.16758 177.5
[M+K]+ 331.09692 177.9
[M-H]- 291.12648 174.4
[M+Na-2H]- 313.10843 177.7
[M]+ 292.13321 172.9
[M]- 292.13431 172.9
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.