CID 6476745

(e)-3-(2-chloro-3-quinolyl)-1-(3,5-dimethyl-2-furyl)prop-2-en-1-one

Structural Information

Molecular Formula
C18H14ClNO2
SMILES
CC1=CC(=C(O1)C(=O)/C=C/C2=CC3=CC=CC=C3N=C2Cl)C
InChI
InChI=1S/C18H14ClNO2/c1-11-9-12(2)22-17(11)16(21)8-7-14-10-13-5-3-4-6-15(13)20-18(14)19/h3-10H,1-2H3/b8-7+
InChIKey
HAVOBAPQPQOVLE-BQYQJAHWSA-N
Compound name
(E)-3-(2-chloroquinolin-3-yl)-1-(3,5-dimethylfuran-2-yl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

311.07132 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.07860 171.8
[M+Na]+ 334.06054 183.9
[M-H]- 310.06404 179.7
[M+NH4]+ 329.10514 188.1
[M+K]+ 350.03448 177.9
[M+H-H2O]+ 294.06858 164.6
[M+HCOO]- 356.06952 189.6
[M+CH3COO]- 370.08517 184.7
[M+Na-2H]- 332.04599 174.8
[M]+ 311.07077 178.8
[M]- 311.07187 178.8
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.