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: 12204
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]+	239.08151	149.1
[M+Na]+	261.06345	159.5
[M-H]-	237.06695	154.6
[M+NH4]+	256.10805	168.4
[M+K]+	277.03739	154.5
[M+H-H2O]+	221.07149	142.6
[M+HCOO]-	283.07243	171.6
[M+CH3COO]-	297.08808	162.1
[M+Na-2H]-	259.04890	155.4
[M]+	238.07368	147.0
[M]-	238.07478	147.0

Literature stripe

literature stripe

Patent stripe

patents stripe