CID 76267

1-(phenylamino)anthraquinone

Structural Information

Molecular Formula

C₂₀H₁₃NO₂

SMILES

C1=CC=C(C=C1)NC2=CC=CC3=C2C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C20H13NO2/c22-19-14-9-4-5-10-15(14)20(23)18-16(19)11-6-12-17(18)21-13-7-2-1-3-8-13/h1-12,21H

InChIKey

XRIGHGYEGNDPEU-UHFFFAOYSA-N

Compound name

1-anilinoanthracene-9,10-dione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 4
References: 555
Patents: 299.09464 Da
Monoisotopic Mass: 5.4
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]+	300.10192	166.4
[M+Na]+	322.08386	175.2
[M-H]-	298.08736	175.0
[M+NH4]+	317.12846	182.9
[M+K]+	338.05780	168.9
[M+H-H2O]+	282.09190	157.4
[M+HCOO]-	344.09284	188.3
[M+CH3COO]-	358.10849	178.3
[M+Na-2H]-	320.06931	174.0
[M]+	299.09409	165.6
[M]-	299.09519	165.6

Literature stripe

literature stripe

Patent stripe

patents stripe