CID 28531

Disperse red 60

Structural Information

Molecular Formula

C₂₀H₁₃NO₄

SMILES

C1=CC=C(C=C1)OC2=C(C3=C(C(=C2)O)C(=O)C4=CC=CC=C4C3=O)N

InChI

InChI=1S/C20H13NO4/c21-18-15(25-11-6-2-1-3-7-11)10-14(22)16-17(18)20(24)13-9-5-4-8-12(13)19(16)23/h1-10,22H,21H2

InChIKey

MHXFWEJMQVIWDH-UHFFFAOYSA-N

Compound name

1-amino-4-hydroxy-2-phenoxyanthracene-9,10-dione

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 4
References: 5038
Patents: 331.08447 Da
Monoisotopic Mass: 4.5
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]+	332.091746	174.3
[M+Na]+	354.073688	184.0
[M-H]-	330.077194	181.8
[M+NH4]+	349.118293	188.9
[M+K]+	370.047628	178.4
[M+H-H2O]+	314.081730	165.6
[M+HCOO]-	376.082671	194.3
[M+CH3COO]-	390.098321	185.5
[M+Na-2H]-	352.059136	179.3
[M]+	331.08392142	174.6
[M]-	331.08501858	174.6

Literature stripe

literature stripe

Patent stripe

patents stripe