CID 71806

Amphotalide

Structural Information

Molecular Formula

C₁₉H₂₀N₂O₃

SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCCOC3=CC=C(C=C3)N

InChI

InChI=1S/C19H20N2O3/c20-14-8-10-15(11-9-14)24-13-5-1-4-12-21-18(22)16-6-2-3-7-17(16)19(21)23/h2-3,6-11H,1,4-5,12-13,20H2

InChIKey

GIIGAFADHXYOPM-UHFFFAOYSA-N

Compound name

2-[5-(4-aminophenoxy)pentyl]isoindole-1,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 254
Patents: 324.1474 Da
Monoisotopic Mass: 3.5
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]+	325.15468	177.7
[M+Na]+	347.13662	189.9
[M+NH4]+	342.18122	184.6
[M+K]+	363.11056	184.1
[M-H]-	323.14012	181.1
[M+Na-2H]-	345.12207	183.0
[M]+	324.14685	180.2
[M]-	324.14795	180.2

Literature stripe

literature stripe

Patent stripe

patents stripe