CID 135534382

Pyridinium, 2-(2-(8-hydroxy-2-quinolyl)vinyl)-1-methyl-, chloride

Structural Information

Molecular Formula
C17H15N2O
SMILES
C[N+]1=CC=CC=C1/C=C/C2=NC3=C(C=CC=C3O)C=C2
InChI
InChI=1S/C17H14N2O/c1-19-12-3-2-6-15(19)11-10-14-9-8-13-5-4-7-16(20)17(13)18-14/h2-12H,1H3/p+1
InChIKey
HWDNIHCOUPOQHL-UHFFFAOYSA-O
Compound name
2-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]quinolin-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.11844 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.12572 164.2
[M+Na]+ 286.10766 173.3
[M-H]- 262.11116 168.3
[M+NH4]+ 281.15226 178.2
[M+K]+ 302.08160 161.1
[M+H-H2O]+ 246.11570 157.6
[M+HCOO]- 308.11664 183.1
[M+CH3COO]- 322.13229 188.8
[M+Na-2H]- 284.09311 173.3
[M]+ 263.11789 162.7
[M]- 263.11899 162.7
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.