CID 6476747

(e)-3-(2-chloro-6,7-dimethoxy-3-quinolyl)-1-(4-chlorophenyl)prop-2-en-1-one

Structural Information

Molecular Formula
C20H15Cl2NO3
SMILES
COC1=CC2=CC(=C(N=C2C=C1OC)Cl)/C=C/C(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C20H15Cl2NO3/c1-25-18-10-14-9-13(20(22)23-16(14)11-19(18)26-2)5-8-17(24)12-3-6-15(21)7-4-12/h3-11H,1-2H3/b8-5+
InChIKey
IPYTYGYGPSVQDB-VMPITWQZSA-N
Compound name
(E)-3-(2-chloro-6,7-dimethoxyquinolin-3-yl)-1-(4-chlorophenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

387.0429 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.05018 185.7
[M+Na]+ 410.03212 196.8
[M-H]- 386.03562 191.6
[M+NH4]+ 405.07672 198.7
[M+K]+ 426.00606 189.5
[M+H-H2O]+ 370.04016 177.8
[M+HCOO]- 432.04110 196.7
[M+CH3COO]- 446.05675 218.5
[M+Na-2H]- 408.01757 187.8
[M]+ 387.04235 193.8
[M]- 387.04345 193.8
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.