CID 206676

Acetamidine, n-benzyl-2-phenyl-, hydrochloride

Structural Information

Molecular Formula

C₁₅H₁₆N₂

SMILES

C1=CC=C(C=C1)CC(=NCC2=CC=CC=C2)N

InChI

InChI=1S/C15H16N2/c16-15(11-13-7-3-1-4-8-13)17-12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H2,16,17)

InChIKey

XRPNFHZMXJLYKS-UHFFFAOYSA-N

Compound name

N'-benzyl-2-phenylethanimidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 224.13135 Da
Monoisotopic Mass: 2.5
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]+	225.138626	151.5
[M+Na]+	247.120568	156.5
[M-H]-	223.124074	158.5
[M+NH4]+	242.165173	169.0
[M+K]+	263.094508	152.6
[M+H-H2O]+	207.128610	143.3
[M+HCOO]-	269.129551	177.7
[M+CH3COO]-	283.145201	196.1
[M+Na-2H]-	245.106016	158.1
[M]+	224.13080142	149.0
[M]-	224.13189858	149.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe