CID 71139

Milverine

Structural Information

Molecular Formula

C₂₀H₂₀N₂

SMILES

C1=CC=C(C=C1)C(CCNC2=CC=NC=C2)C3=CC=CC=C3

InChI

InChI=1S/C20H20N2/c1-3-7-17(8-4-1)20(18-9-5-2-6-10-18)13-16-22-19-11-14-21-15-12-19/h1-12,14-15,20H,13,16H2,(H,21,22)

InChIKey

KMZHYAUKFHLFNY-UHFFFAOYSA-N

Compound name

N-(3,3-diphenylpropyl)pyridin-4-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 78
Patents: 288.16266 Da
Monoisotopic Mass: 4.6
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]+	289.169936	168.6
[M+Na]+	311.151878	172.7
[M-H]-	287.155384	175.7
[M+NH4]+	306.196483	181.2
[M+K]+	327.125818	166.7
[M+H-H2O]+	271.159920	158.1
[M+HCOO]-	333.160861	190.8
[M+CH3COO]-	347.176511	178.7
[M+Na-2H]-	309.137326	175.4
[M]+	288.16211142	166.1
[M]-	288.16320858	166.1

Literature stripe

literature stripe

Patent stripe

patents stripe