CID 20419

4395-65-7

Structural Information

Molecular Formula

C₂₀H₁₄N₂O₂

SMILES

C1=CC=C(C=C1)NC2=C3C(=C(C=C2)N)C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C20H14N2O2/c21-15-10-11-16(22-12-6-2-1-3-7-12)18-17(15)19(23)13-8-4-5-9-14(13)20(18)24/h1-11,22H,21H2

InChIKey

XUDJOVURIXHNRW-UHFFFAOYSA-N

Compound name

1-amino-4-anilinoanthracene-9,10-dione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1547
Patents: 314.10553 Da
Monoisotopic Mass: 4.8
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]+	315.11281	170.5
[M+Na]+	337.09475	179.3
[M-H]-	313.09825	178.9
[M+NH4]+	332.13935	186.1
[M+K]+	353.06869	172.9
[M+H-H2O]+	297.10279	161.6
[M+HCOO]-	359.10373	192.8
[M+CH3COO]-	373.11938	181.9
[M+Na-2H]-	335.08020	177.0
[M]+	314.10498	168.7
[M]-	314.10608	168.7

Literature stripe

literature stripe

Patent stripe

patents stripe