CID 752023

2-(((2-methoxyphenyl)amino)methyl)isoindoline-1,3-dione

Structural Information

Molecular Formula

C₁₆H₁₄N₂O₃

SMILES

COC1=CC=CC=C1NCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C16H14N2O3/c1-21-14-9-5-4-8-13(14)17-10-18-15(19)11-6-2-3-7-12(11)16(18)20/h2-9,17H,10H2,1H3

InChIKey

FADSQKAEFZVEOI-UHFFFAOYSA-N

Compound name

2-[(2-methoxyanilino)methyl]isoindole-1,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 282.10043 Da
Monoisotopic Mass: 2.6
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	162.1
[M+Na]+	305.089648	171.1
[M-H]-	281.093154	169.0
[M+NH4]+	300.134253	179.3
[M+K]+	321.063588	166.8
[M+H-H2O]+	265.097690	154.0
[M+HCOO]-	327.098631	185.6
[M+CH3COO]-	341.114281	202.7
[M+Na-2H]-	303.075096	166.3
[M]+	282.09988142	164.2
[M]-	282.10097858	164.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.