CID 20060

4106-16-5

Structural Information

Molecular Formula

C₂₀H₂₈N₂

SMILES

CC(CC1=CC=CC=C1)NCCNC(C)CC2=CC=CC=C2

InChI

InChI=1S/C20H28N2/c1-17(15-19-9-5-3-6-10-19)21-13-14-22-18(2)16-20-11-7-4-8-12-20/h3-12,17-18,21-22H,13-16H2,1-2H3

InChIKey

ITDDGZIPHVSQPV-UHFFFAOYSA-N

Compound name

N,N'-bis(1-phenylpropan-2-yl)ethane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 296.22525 Da
Monoisotopic Mass: 4.1
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]+	297.232526	175.2
[M+Na]+	319.214468	176.8
[M-H]-	295.217974	180.3
[M+NH4]+	314.259073	189.1
[M+K]+	335.188408	172.4
[M+H-H2O]+	279.222510	166.2
[M+HCOO]-	341.223451	197.6
[M+CH3COO]-	355.239101	211.5
[M+Na-2H]-	317.199916	178.4
[M]+	296.22470142	173.7
[M]-	296.22579858	173.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe