CID 54037829

4,4'-diaminochalcone

Structural Information

Molecular Formula

C₁₅H₁₄N₂O

SMILES

C1=CC(=CC=C1C=CC(=O)C2=CC=C(C=C2)N)N

InChI

InChI=1S/C15H14N2O/c16-13-6-1-11(2-7-13)3-10-15(18)12-4-8-14(17)9-5-12/h1-10H,16-17H2

InChIKey

LKFKFNXPGMGBIS-UHFFFAOYSA-N

Compound name

1,3-bis(4-aminophenyl)prop-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 238.11061 Da
Monoisotopic Mass: 1.7
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]+	239.11789	155.8
[M+Na]+	261.09983	168.5
[M+NH4]+	256.14443	163.8
[M+K]+	277.07377	161.2
[M-H]-	237.10333	161.0
[M+Na-2H]-	259.08528	164.2
[M]+	238.11006	158.9
[M]-	238.11116	158.9

Literature stripe

literature stripe

Patent stripe

patents stripe