CID 15597559

63948-92-5

Structural Information

Molecular Formula

C₂₅H₂₀N₂O₃

SMILES

C1=CC(=CC(=C1)OC2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)OC4=CC=CC(=C4)N)N

InChI

InChI=1S/C25H20N2O3/c26-19-3-1-5-23(15-19)29-21-11-7-17(8-12-21)25(28)18-9-13-22(14-10-18)30-24-6-2-4-20(27)16-24/h1-16H,26-27H2

InChIKey

BBRLKRNNIMVXOD-UHFFFAOYSA-N

Compound name

bis[4-(3-aminophenoxy)phenyl]methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3101
Patents: 396.1474 Da
Monoisotopic Mass: 5.0
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]+	397.154676	196.2
[M+Na]+	419.136618	201.8
[M-H]-	395.140124	207.9
[M+NH4]+	414.181223	204.9
[M+K]+	435.110558	196.0
[M+H-H2O]+	379.144660	184.7
[M+HCOO]-	441.145601	219.4
[M+CH3COO]-	455.161251	205.4
[M+Na-2H]-	417.122066	198.2
[M]+	396.14685142	194.6
[M]-	396.14794858	194.6

Literature stripe

literature stripe

Patent stripe

patents stripe