CID 31420

1,4-diaminoanthraquinone

Structural Information

Molecular Formula

C₁₄H₁₀N₂O₂

SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)N)N

InChI

InChI=1S/C14H10N2O2/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-6H,15-16H2

InChIKey

FBMQNRKSAWNXBT-UHFFFAOYSA-N

Compound name

1,4-diaminoanthracene-9,10-dione

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 19
References: 14160
Patents: 238.07423 Da
Monoisotopic Mass: 2.6
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]+	239.081506	149.1
[M+Na]+	261.063448	159.5
[M-H]-	237.066954	154.6
[M+NH4]+	256.108053	168.4
[M+K]+	277.037388	154.5
[M+H-H2O]+	221.071490	142.6
[M+HCOO]-	283.072431	171.6
[M+CH3COO]-	297.088081	162.1
[M+Na-2H]-	259.048896	155.4
[M]+	238.07368142	147.0
[M]-	238.07477858	147.0

Literature stripe

literature stripe

Patent stripe

patents stripe