CID 5222388

27721-87-5

Structural Information

Molecular Formula

C₂₀H₁₄O₃

SMILES

COC1=C(C2=CC=CC=C2C=C1)C3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C20H14O3/c1-23-16-11-10-12-6-2-3-7-13(12)17(16)18-19(21)14-8-4-5-9-15(14)20(18)22/h2-11,18H,1H3

InChIKey

XCSKQSIJWDUPPR-UHFFFAOYSA-N

Compound name

2-(2-methoxynaphthalen-1-yl)indene-1,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 302.0943 Da
Monoisotopic Mass: 4.3
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]+	303.101576	168.4
[M+Na]+	325.083518	178.8
[M-H]-	301.087024	177.8
[M+NH4]+	320.128123	187.5
[M+K]+	341.057458	173.2
[M+H-H2O]+	285.091560	161.0
[M+HCOO]-	347.092501	190.4
[M+CH3COO]-	361.108151	181.4
[M+Na-2H]-	323.068966	171.9
[M]+	302.09375142	171.1
[M]-	302.09484858	171.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.