CID 16218147

190334-80-6

Structural Information

Molecular Formula

C₂₁H₁₉N

SMILES

C=CCC1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H19N/c1-2-9-18-14-16-21(17-15-18)22(19-10-5-3-6-11-19)20-12-7-4-8-13-20/h2-8,10-17H,1,9H2

InChIKey

YJYHPUGNMYKYNU-UHFFFAOYSA-N

Compound name

N,N-diphenyl-4-prop-2-enylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 33
Patents: 285.15176 Da
Monoisotopic Mass: 6.2
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]+	286.15904	168.6
[M+Na]+	308.14098	174.0
[M-H]-	284.14448	178.8
[M+NH4]+	303.18558	183.7
[M+K]+	324.11492	168.4
[M+H-H2O]+	268.14902	158.9
[M+HCOO]-	330.14996	193.5
[M+CH3COO]-	344.16561	180.1
[M+Na-2H]-	306.12643	174.2
[M]+	285.15121	167.5
[M]-	285.15231	167.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe