CID 110815

6266-42-8

Structural Information

Molecular Formula

C₁₇H₂₁N

SMILES

CCCNC(CC1=CC=CC=C1)C2=CC=CC=C2

InChI

InChI=1S/C17H21N/c1-2-13-18-17(16-11-7-4-8-12-16)14-15-9-5-3-6-10-15/h3-12,17-18H,2,13-14H2,1H3

InChIKey

QDJKYFSVYJISOP-UHFFFAOYSA-N

Compound name

N-(1,2-diphenylethyl)propan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 239.1674 Da
Monoisotopic Mass: 4.2
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]+	240.17468	157.7
[M+Na]+	262.15662	161.8
[M-H]-	238.16012	163.4
[M+NH4]+	257.20122	174.4
[M+K]+	278.13056	157.5
[M+H-H2O]+	222.16466	149.6
[M+HCOO]-	284.16560	181.1
[M+CH3COO]-	298.18125	196.8
[M+Na-2H]-	260.14207	163.3
[M]+	239.16685	156.4
[M]-	239.16795	156.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe