CID 701842

8-(cinnamoyloxy)quinoline

Structural Information

Molecular Formula
C18H13NO2
SMILES
C1=CC=C(C=C1)/C=C/C(=O)OC2=CC=CC3=C2N=CC=C3
InChI
InChI=1S/C18H13NO2/c20-17(12-11-14-6-2-1-3-7-14)21-16-10-4-8-15-9-5-13-19-18(15)16/h1-13H/b12-11+
InChIKey
MGYIGSPQIHQSAA-VAWYXSNFSA-N
Compound name
quinolin-8-yl (E)-3-phenylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

275.09464 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.10192 163.0
[M+Na]+ 298.08386 170.5
[M-H]- 274.08736 168.9
[M+NH4]+ 293.12846 178.1
[M+K]+ 314.05780 165.1
[M+H-H2O]+ 258.09190 153.8
[M+HCOO]- 320.09284 184.2
[M+CH3COO]- 334.10849 174.5
[M+Na-2H]- 296.06931 170.2
[M]+ 275.09409 163.5
[M]- 275.09519 163.5
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.