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]+ 276.10192 161.2
[M+Na]+ 298.08386 170.3
[M-H]- 274.08736 169.6
[M+NH4]+ 293.12846 176.9
[M+K]+ 314.05780 166.8
[M+H-H2O]+ 258.09190 153.1
[M+HCOO]- 320.09284 180.5
[M+CH3COO]- 334.10849 173.7
[M+Na-2H]- 296.06931 168.6
[M]+ 275.09409 162.9
[M]- 275.09519 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.