CID 16205090

2-hydroxy-1,4-bis(phenylamino)anthraquinone

Structural Information

Molecular Formula

C₂₆H₁₈N₂O₃

SMILES

C1=CC=C(C=C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)NC5=CC=CC=C5)O

InChI

InChI=1S/C26H18N2O3/c29-21-15-20(27-16-9-3-1-4-10-16)22-23(24(21)28-17-11-5-2-6-12-17)26(31)19-14-8-7-13-18(19)25(22)30/h1-15,27-29H

InChIKey

LIOMCOAUQFHZKI-UHFFFAOYSA-N

Compound name

1,4-dianilino-2-hydroxyanthracene-9,10-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 406.13174 Da
Monoisotopic Mass: 6.7
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]+	407.139016	194.6
[M+Na]+	429.120958	201.9
[M-H]-	405.124464	204.6
[M+NH4]+	424.165563	205.2
[M+K]+	445.094898	194.6
[M+H-H2O]+	389.129000	183.5
[M+HCOO]-	451.129941	214.8
[M+CH3COO]-	465.145591	203.7
[M+Na-2H]-	427.106406	200.3
[M]+	406.13119142	192.9
[M]-	406.13228858	192.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe