CID 6475026

Chembl293788

Structural Information

Molecular Formula
C19H15NO2
SMILES
CC(=O)OC1=CC=CC2=C1N=C(C=C2)/C=C/C3=CC=CC=C3
InChI
InChI=1S/C19H15NO2/c1-14(21)22-18-9-5-8-16-11-13-17(20-19(16)18)12-10-15-6-3-2-4-7-15/h2-13H,1H3/b12-10+
InChIKey
OSAOSEQEULTDNB-ZRDIBKRKSA-N
Compound name
[2-[(E)-2-phenylethenyl]quinolin-8-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

289.1103 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.11758 167.7
[M+Na]+ 312.09952 175.6
[M-H]- 288.10302 173.7
[M+NH4]+ 307.14412 182.6
[M+K]+ 328.07346 170.1
[M+H-H2O]+ 272.10756 158.4
[M+HCOO]- 334.10850 188.5
[M+CH3COO]- 348.12415 179.0
[M+Na-2H]- 310.08497 173.6
[M]+ 289.10975 168.9
[M]- 289.11085 168.9
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.