CID 24804

10024-74-5

Structural Information

Molecular Formula

C₁₆H₁₉N

SMILES

CC(C1=CC=CC=C1)NC(C)C2=CC=CC=C2

InChI

InChI=1S/C16H19N/c1-13(15-9-5-3-6-10-15)17-14(2)16-11-7-4-8-12-16/h3-14,17H,1-2H3

InChIKey

NXLACVVNHYIYJN-UHFFFAOYSA-N

Compound name

1-phenyl-N-(1-phenylethyl)ethanamine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 5
References: 950
Patents: 225.15175 Da
Monoisotopic Mass: 3.6
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	153.5
[M+Na]+	248.14097	157.8
[M-H]-	224.14447	159.5
[M+NH4]+	243.18557	170.8
[M+K]+	264.11491	154.3
[M+H-H2O]+	208.14901	145.8
[M+HCOO]-	270.14995	176.2
[M+CH3COO]-	284.16560	194.7
[M+Na-2H]-	246.12642	158.5
[M]+	225.15120	151.3
[M]-	225.15230	151.3

Literature stripe

literature stripe

Patent stripe

patents stripe