CID 120618

54-65-9

Structural Information

Molecular Formula

C₂₃H₂₆N₂

SMILES

CN(C)C(CN(CC1=CC=CC=C1)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C23H26N2/c1-24(2)23(21-14-8-4-9-15-21)19-25(22-16-10-5-11-17-22)18-20-12-6-3-7-13-20/h3-17,23H,18-19H2,1-2H3

InChIKey

MRTPRCJCZAOEQE-UHFFFAOYSA-N

Compound name

N'-benzyl-N,N-dimethyl-N',1-diphenylethane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 330.2096 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]+	331.216876	182.9
[M+Na]+	353.198818	184.9
[M-H]-	329.202324	193.6
[M+NH4]+	348.243423	195.9
[M+K]+	369.172758	181.3
[M+H-H2O]+	313.206860	171.9
[M+HCOO]-	375.207801	207.2
[M+CH3COO]-	389.223451	222.1
[M+Na-2H]-	351.184266	186.6
[M]+	330.20905142	182.6
[M]-	330.21014858	182.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe