CID 57094730

Chembl2022591

Structural Information

Molecular Formula

C₂₂H₂₃N

SMILES

C1=CC=C(C=C1)C(CCCN)(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H23N/c23-18-10-17-22(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1-9,11-16H,10,17-18,23H2

InChIKey

PVCHAKQXNCGVFU-UHFFFAOYSA-N

Compound name

4,4,4-triphenylbutan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 24
Patents: 301.18304 Da
Monoisotopic Mass: 5.1
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]+	302.19032	174.0
[M+Na]+	324.17226	178.0
[M-H]-	300.17576	181.9
[M+NH4]+	319.21686	187.4
[M+K]+	340.14620	171.5
[M+H-H2O]+	284.18030	164.7
[M+HCOO]-	346.18124	195.6
[M+CH3COO]-	360.19689	184.0
[M+Na-2H]-	322.15771	180.2
[M]+	301.18249	170.8
[M]-	301.18359	170.8

Literature stripe

literature stripe

Patent stripe

patents stripe