CID 4651507

57083-29-1

Structural Information

Molecular Formula

C₁₈H₁₆O

SMILES

CC1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2

InChI

InChI=1S/C18H16O/c1-15-7-9-17(10-8-15)12-14-18(19)13-11-16-5-3-2-4-6-16/h2-14H,1H3

InChIKey

DBDJWKCEIXOUDX-UHFFFAOYSA-N

Compound name

1-(4-methylphenyl)-5-phenylpenta-1,4-dien-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 9
Patents: 248.12012 Da
Monoisotopic Mass: 4.5
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]+	249.12740	158.2
[M+Na]+	271.10934	164.8
[M-H]-	247.11284	164.4
[M+NH4]+	266.15394	175.1
[M+K]+	287.08328	159.1
[M+H-H2O]+	231.11738	150.6
[M+HCOO]-	293.11832	181.1
[M+CH3COO]-	307.13397	194.3
[M+Na-2H]-	269.09479	162.2
[M]+	248.11957	157.6
[M]-	248.12067	157.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe