CID 570342

N-(2-anthraquinonyl)benzamide

Structural Information

Molecular Formula

C₂₁H₁₃NO₃

SMILES

C1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C21H13NO3/c23-19-15-8-4-5-9-16(15)20(24)18-12-14(10-11-17(18)19)22-21(25)13-6-2-1-3-7-13/h1-12H,(H,22,25)

InChIKey

SIGATAYQAZTAOH-UHFFFAOYSA-N

Compound name

N-(9,10-dioxoanthracen-2-yl)benzamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 5
References: 69
Patents: 327.08954 Da
Monoisotopic Mass: 3.7
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]+	328.09682	173.3
[M+Na]+	350.07876	181.4
[M-H]-	326.08226	181.8
[M+NH4]+	345.12336	188.5
[M+K]+	366.05270	175.7
[M+H-H2O]+	310.08680	164.2
[M+HCOO]-	372.08774	194.2
[M+CH3COO]-	386.10339	184.5
[M+Na-2H]-	348.06421	179.4
[M]+	327.08899	172.9
[M]-	327.09009	172.9

Literature stripe

literature stripe

Patent stripe

patents stripe