CID 102554

Norbenzphetamine

Structural Information

Molecular Formula

C₁₆H₁₉N

SMILES

CC(CC1=CC=CC=C1)NCC2=CC=CC=C2

InChI

InChI=1S/C16H19N/c1-14(12-15-8-4-2-5-9-15)17-13-16-10-6-3-7-11-16/h2-11,14,17H,12-13H2,1H3

InChIKey

JLCDKDGHTWGGQM-UHFFFAOYSA-N

Compound name

N-benzyl-1-phenylpropan-2-amine

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 18
References: 169
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]+	226.159026	153.1
[M+Na]+	248.140968	157.7
[M-H]-	224.144474	159.0
[M+NH4]+	243.185573	170.4
[M+K]+	264.114908	153.6
[M+H-H2O]+	208.149010	145.2
[M+HCOO]-	270.149951	176.8
[M+CH3COO]-	284.165601	193.8
[M+Na-2H]-	246.126416	159.3
[M]+	225.15120142	151.5
[M]-	225.15229858	151.5

Literature stripe

literature stripe

Patent stripe

patents stripe