CID 943366

Phthalimide, n-(2-(p-aminophenoxy)ethyl)-, methanesulfonate

Structural Information

Molecular Formula

C₁₆H₁₄N₂O₃

SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCOC3=CC=C(C=C3)N

InChI

InChI=1S/C16H14N2O3/c17-11-5-7-12(8-6-11)21-10-9-18-15(19)13-3-1-2-4-14(13)16(18)20/h1-8H,9-10,17H2

InChIKey

MWIHYGXYALYNNF-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 282.10043 Da
Monoisotopic Mass: 2.5
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]+	283.107706	162.7
[M+Na]+	305.089648	171.8
[M-H]-	281.093154	169.2
[M+NH4]+	300.134253	179.6
[M+K]+	321.063588	167.1
[M+H-H2O]+	265.097690	154.7
[M+HCOO]-	327.098631	185.6
[M+CH3COO]-	341.114281	202.2
[M+Na-2H]-	303.075096	165.9
[M]+	282.09988142	163.9
[M]-	282.10097858	163.9

Literature stripe

literature stripe

Patent stripe

patents stripe