CID 22791

Diphenethylamine

Structural Information

Molecular Formula

C₁₆H₁₉N

SMILES

C1=CC=C(C=C1)CCNCCC2=CC=CC=C2

InChI

InChI=1S/C16H19N/c1-3-7-15(8-4-1)11-13-17-14-12-16-9-5-2-6-10-16/h1-10,17H,11-14H2

InChIKey

ACSAKRLPJQIBFB-UHFFFAOYSA-N

Compound name

2-phenyl-N-(2-phenylethyl)ethanamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 798
Patents: 225.15175 Da
Monoisotopic Mass: 3.7
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]+	226.15903	154.7
[M+Na]+	248.14097	169.0
[M+NH4]+	243.18557	164.5
[M+K]+	264.11491	159.0
[M-H]-	224.14447	161.0
[M+Na-2H]-	246.12642	165.6
[M]+	225.15120	158.7
[M]-	225.15230	158.7

Literature stripe

literature stripe

Patent stripe

patents stripe