CID 5917684

(e)-3-(2-chloro-6,7-dimethoxyquinolin-3-yl)-1-phenylprop-2-en-1-one

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

2
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

patents stripe