CID 3410067

54689-89-3

Structural Information

Molecular Formula

C₂₀H₁₈O₂

SMILES

CC1=CC(=C(C(=C1C)C)C)C=C2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C20H18O2/c1-11-9-15(14(4)13(3)12(11)2)10-18-19(21)16-7-5-6-8-17(16)20(18)22/h5-10H,1-4H3

InChIKey

ZOADEGWIGWOJKM-UHFFFAOYSA-N

Compound name

2-[(2,3,4,5-tetramethylphenyl)methylidene]indene-1,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 290.13068 Da
Monoisotopic Mass: 5.0
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]+	291.137956	166.2
[M+Na]+	313.119898	177.8
[M-H]-	289.123404	175.3
[M+NH4]+	308.164503	185.9
[M+K]+	329.093838	171.6
[M+H-H2O]+	273.127940	160.1
[M+HCOO]-	335.128881	188.6
[M+CH3COO]-	349.144531	207.2
[M+Na-2H]-	311.105346	165.8
[M]+	290.13013142	169.0
[M]-	290.13122858	169.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.