CID 5387162

38132-62-6

Structural Information

Molecular Formula

C₂₀H₁₆O

SMILES

CC1=CC=C(C=C1)/C=C/C(=O)C2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C20H16O/c1-15-9-11-16(12-10-15)13-14-20(21)19-8-4-6-17-5-2-3-7-18(17)19/h2-14H,1H3/b14-13+

InChIKey

GMEVIIOICMDAAI-BUHFOSPRSA-N

Compound name

(E)-3-(4-methylphenyl)-1-naphthalen-1-ylprop-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 272.12012 Da
Monoisotopic Mass: 5.3
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]+	273.127396	163.7
[M+Na]+	295.109338	171.3
[M-H]-	271.112844	171.0
[M+NH4]+	290.153943	180.7
[M+K]+	311.083278	165.1
[M+H-H2O]+	255.117380	155.6
[M+HCOO]-	317.118321	185.4
[M+CH3COO]-	331.133971	175.6
[M+Na-2H]-	293.094786	169.0
[M]+	272.11957142	163.5
[M]-	272.12066858	163.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe