CID 50515

Amonafide

Structural Information

Molecular Formula

C₁₆H₁₇N₃O₂

SMILES

CN(C)CCN1C(=O)C2=CC=CC3=CC(=CC(=C32)C1=O)N

InChI

InChI=1S/C16H17N3O2/c1-18(2)6-7-19-15(20)12-5-3-4-10-8-11(17)9-13(14(10)12)16(19)21/h3-5,8-9H,6-7,17H2,1-2H3

InChIKey

UPALIKSFLSVKIS-UHFFFAOYSA-N

Compound name

5-amino-2-[2-(dimethylamino)ethyl]benzo[de]isoquinoline-1,3-dione

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 202
References: 12122
Patents: 283.13208 Da
Monoisotopic Mass: 1.5
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]+	284.13936	164.3
[M+Na]+	306.12130	177.0
[M+NH4]+	301.16590	172.3
[M+K]+	322.09524	170.1
[M-H]-	282.12480	167.5
[M+Na-2H]-	304.10675	168.3
[M]+	283.13153	166.8
[M]-	283.13263	166.8

Literature stripe

literature stripe

Patent stripe

patents stripe