CID 5917684

209599-86-0

Structural Information

Molecular Formula
C20H16ClNO3
SMILES
COC1=CC2=CC(=C(N=C2C=C1OC)Cl)/C=C/C(=O)C3=CC=CC=C3
InChI
InChI=1S/C20H16ClNO3/c1-24-18-11-15-10-14(20(21)22-16(15)12-19(18)25-2)8-9-17(23)13-6-4-3-5-7-13/h3-12H,1-2H3/b9-8+
InChIKey
VYUUJUPFSNIBEF-CMDGGOBGSA-N
Compound name
(E)-3-(2-chloro-6,7-dimethoxyquinolin-3-yl)-1-phenylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

353.08188 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.08916 181.0
[M+Na]+ 376.07110 190.8
[M-H]- 352.07460 187.4
[M+NH4]+ 371.11570 194.6
[M+K]+ 392.04504 184.4
[M+H-H2O]+ 336.07914 172.3
[M+HCOO]- 398.08008 197.1
[M+CH3COO]- 412.09573 213.3
[M+Na-2H]- 374.05655 184.5
[M]+ 353.08133 187.3
[M]- 353.08243 187.3
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.