CID 6447366

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

Structural Information

Molecular Formula
C18H16NO2
SMILES
C[N+]1=C(C=CC2=C1C(=CC=C2)O)/C=C/C3=CC=C(C=C3)O
InChI
InChI=1S/C18H15NO2/c1-19-15(9-5-13-6-11-16(20)12-7-13)10-8-14-3-2-4-17(21)18(14)19/h2-12,21H,1H3/p+1
InChIKey
DVUVWFRPUMBACH-UHFFFAOYSA-O
Compound name
2-[(E)-2-(4-hydroxyphenyl)ethenyl]-1-methylquinolin-1-ium-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.1181 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.12538 163.5
[M+Na]+ 301.10732 182.0
[M+NH4]+ 296.15192 173.1
[M+K]+ 317.08126 173.8
[M-H]- 277.11082 169.7
[M+Na-2H]- 299.09277 173.1
[M]+ 278.11755 168.4
[M]- 278.11865 168.4
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.