CID 6112225

1-phenyl-3-(2-chloro-3-quinolinyl)-2-propen-1-one

Structural Information

Molecular Formula
C18H12ClNO
SMILES
C1=CC=C(C=C1)C(=O)/C=C/C2=CC3=CC=CC=C3N=C2Cl
InChI
InChI=1S/C18H12ClNO/c19-18-15(12-14-8-4-5-9-16(14)20-18)10-11-17(21)13-6-2-1-3-7-13/h1-12H/b11-10+
InChIKey
ZLMZMYBMMYBIOI-ZHACJKMWSA-N
Compound name
(E)-3-(2-chloroquinolin-3-yl)-1-phenylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

293.06073 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.06801 165.8
[M+Na]+ 316.04995 175.1
[M-H]- 292.05345 171.7
[M+NH4]+ 311.09455 181.4
[M+K]+ 332.02389 167.5
[M+H-H2O]+ 276.05799 157.5
[M+HCOO]- 338.05893 182.2
[M+CH3COO]- 352.07458 177.4
[M+Na-2H]- 314.03540 171.7
[M]+ 293.06018 167.8
[M]- 293.06128 167.8
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

patents stripe