CID 13976

Quinacridone

Structural Information

Molecular Formula

C₂₀H₁₂N₂O₂

SMILES

C1=CC=C2C(=C1)C(=O)C3=CC4=C(C=C3N2)C(=O)C5=CC=CC=C5N4

InChI

InChI=1S/C20H12N2O2/c23-19-11-5-1-3-7-15(11)21-17-10-14-18(9-13(17)19)22-16-8-4-2-6-12(16)20(14)24/h1-10H,(H,21,23)(H,22,24)

InChIKey

NRCMAYZCPIVABH-UHFFFAOYSA-N

Compound name

5,12-dihydroquinolino[2,3-b]acridine-7,14-dione

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 34
References: 60633
Patents: 312.08987 Da
Monoisotopic Mass: 4.0
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]+	313.097146	169.8
[M+Na]+	335.079088	183.3
[M-H]-	311.082594	173.2
[M+NH4]+	330.123693	184.5
[M+K]+	351.053028	173.9
[M+H-H2O]+	295.087130	160.0
[M+HCOO]-	357.088071	186.8
[M+CH3COO]-	371.103721	181.0
[M+Na-2H]-	333.064536	181.6
[M]+	312.08932142	171.6
[M]-	312.09041858	171.6

Literature stripe

literature stripe

Patent stripe

patents stripe