CID 5378199

55723-88-1

Structural Information

Molecular Formula

C₂₁H₁₆O

SMILES

C1C/C(=C\C2=CC3=CC=CC=C3C=C2)/C(=O)C4=CC=CC=C41

InChI

InChI=1S/C21H16O/c22-21-19(12-11-17-6-3-4-8-20(17)21)14-15-9-10-16-5-1-2-7-18(16)13-15/h1-10,13-14H,11-12H2/b19-14+

InChIKey

DHBQSDWBFACOPT-XMHGGMMESA-N

Compound name

(2E)-2-(naphthalen-2-ylmethylidene)-3,4-dihydronaphthalen-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 284.12012 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]+	285.127396	165.4
[M+Na]+	307.109338	173.0
[M-H]-	283.112844	173.2
[M+NH4]+	302.153943	182.7
[M+K]+	323.083278	165.8
[M+H-H2O]+	267.117380	156.6
[M+HCOO]-	329.118321	184.5
[M+CH3COO]-	343.133971	176.7
[M+Na-2H]-	305.094786	171.5
[M]+	284.11957142	162.2
[M]-	284.12066858	162.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe