CID 1549719

Refchem:1053346

Structural Information

Molecular Formula

C₁₉H₁₈O₃

SMILES

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

InChI

InChI=1S/C19H18O3/c1-21-18-11-5-15(6-12-18)3-9-17(20)10-4-16-7-13-19(22-2)14-8-16/h3-14H,1-2H3/b9-3-,10-4+

InChIKey

IOZVKDXPBWBUKY-INWPEIIHSA-N

Compound name

(1Z,4E)-1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 13
References: 163
Patents: 294.12558 Da
Monoisotopic Mass: 4.1
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]+	295.132856	169.1
[M+Na]+	317.114798	176.0
[M-H]-	293.118304	175.6
[M+NH4]+	312.159403	184.3
[M+K]+	333.088738	171.4
[M+H-H2O]+	277.122840	161.0
[M+HCOO]-	339.123781	192.1
[M+CH3COO]-	353.139431	202.5
[M+Na-2H]-	315.100246	171.9
[M]+	294.12503142	172.1
[M]-	294.12612858	172.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe