CID 5914971

2-(2-(1,3-benzodioxol-5-yl)vinyl)quinoline

Structural Information

Molecular Formula
C18H13NO2
SMILES
C1OC2=C(O1)C=C(C=C2)/C=C/C3=NC4=CC=CC=C4C=C3
InChI
InChI=1S/C18H13NO2/c1-2-4-16-14(3-1)7-9-15(19-16)8-5-13-6-10-17-18(11-13)21-12-20-17/h1-11H,12H2/b8-5+
InChIKey
WCTKZIWXPMEAHC-VMPITWQZSA-N
Compound name
2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.09464 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.101916 161.2
[M+Na]+ 298.083858 170.3
[M-H]- 274.087364 169.6
[M+NH4]+ 293.128463 176.9
[M+K]+ 314.057798 166.8
[M+H-H2O]+ 258.091900 153.1
[M+HCOO]- 320.092841 180.5
[M+CH3COO]- 334.108491 173.7
[M+Na-2H]- 296.069306 168.6
[M]+ 275.09409142 162.9
[M]- 275.09518858 162.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.