CID 6445006

D 765

Structural Information

Molecular Formula

C₁₆H₁₅NO₃

SMILES

COC1=CC(=C(C=C1)C(=O)/C=C/C2=CC=NC=C2)OC

InChI

InChI=1S/C16H15NO3/c1-19-13-4-5-14(16(11-13)20-2)15(18)6-3-12-7-9-17-10-8-12/h3-11H,1-2H3/b6-3+

InChIKey

HIPIFFZGPOCRPX-ZZXKWVIFSA-N

Compound name

(E)-1-(2,4-dimethoxyphenyl)-3-pyridin-4-ylprop-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 32
Patents: 269.1052 Da
Monoisotopic Mass: 2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	270.11248	161.7
[M+Na]+	292.09442	176.1
[M+NH4]+	287.13902	168.8
[M+K]+	308.06836	168.8
[M-H]-	268.09792	164.8
[M+Na-2H]-	290.07987	170.1
[M]+	269.10465	164.6
[M]-	269.10575	164.6

Literature stripe

literature stripe

Patent stripe

patents stripe