CID 477694

4-methoxy-n-(2,6-dimethylphenyl)phthalimide

Structural Information

Molecular Formula

C₁₇H₁₅NO₃

SMILES

CC1=C(C(=CC=C1)C)N2C(=O)C3=C(C2=O)C=C(C=C3)OC

InChI

InChI=1S/C17H15NO3/c1-10-5-4-6-11(2)15(10)18-16(19)13-8-7-12(21-3)9-14(13)17(18)20/h4-9H,1-3H3

InChIKey

UMOBPYMHEAPURA-UHFFFAOYSA-N

Compound name

2-(2,6-dimethylphenyl)-5-methoxyisoindole-1,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 281.1052 Da
Monoisotopic Mass: 3.2
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]+	282.112476	162.7
[M+Na]+	304.094418	174.1
[M-H]-	280.097924	170.4
[M+NH4]+	299.139023	181.0
[M+K]+	320.068358	169.7
[M+H-H2O]+	264.102460	155.5
[M+HCOO]-	326.103401	184.8
[M+CH3COO]-	340.119051	203.2
[M+Na-2H]-	302.079866	164.5
[M]+	281.10465142	166.8
[M]-	281.10574858	166.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.