CID 308393

N-(4-(4-chlorophenoxy)-anilinomethyl)-phthalimide

Structural Information

Molecular Formula

C₂₁H₁₅ClN₂O₃

SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CNC3=CC=C(C=C3)OC4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H15ClN2O3/c22-14-5-9-16(10-6-14)27-17-11-7-15(8-12-17)23-13-24-20(25)18-3-1-2-4-19(18)21(24)26/h1-12,23H,13H2

InChIKey

PFZOAFBNXMERGM-UHFFFAOYSA-N

Compound name

2-[[4-(4-chlorophenoxy)anilino]methyl]isoindole-1,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 378.07712 Da
Monoisotopic Mass: 5.4
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]+	379.084396	188.0
[M+Na]+	401.066338	197.6
[M-H]-	377.069844	197.7
[M+NH4]+	396.110943	201.6
[M+K]+	417.040278	190.3
[M+H-H2O]+	361.074380	178.6
[M+HCOO]-	423.075321	206.2
[M+CH3COO]-	437.090971	198.9
[M+Na-2H]-	399.051786	190.3
[M]+	378.07657142	191.9
[M]-	378.07766858	191.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.