CID 233441

N-m-tolylphthalimide

Structural Information

Molecular Formula

C₁₅H₁₁NO₂

SMILES

CC1=CC(=CC=C1)N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C15H11NO2/c1-10-5-4-6-11(9-10)16-14(17)12-7-2-3-8-13(12)15(16)18/h2-9H,1H3

InChIKey

FKKIPNKONXXQNE-UHFFFAOYSA-N

Compound name

2-(3-methylphenyl)isoindole-1,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 35
Patents: 237.07898 Da
Monoisotopic Mass: 2.8
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]+	238.08626	150.9
[M+Na]+	260.06820	161.6
[M-H]-	236.07170	158.2
[M+NH4]+	255.11280	170.5
[M+K]+	276.04214	156.9
[M+H-H2O]+	220.07624	143.7
[M+HCOO]-	282.07718	173.6
[M+CH3COO]-	296.09283	164.7
[M+Na-2H]-	258.05365	155.0
[M]+	237.07843	152.0
[M]-	237.07953	152.0

Literature stripe

literature stripe

Patent stripe

patents stripe