CID 58274

N'-(alpha-(4-chlorophenyl)benzyl)-n,n-dimethylformamidine

Structural Information

Molecular Formula

C₁₆H₁₇ClN₂

SMILES

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

InChI

InChI=1S/C16H17ClN2/c1-19(2)12-18-16(13-6-4-3-5-7-13)14-8-10-15(17)11-9-14/h3-12,16H,1-2H3

InChIKey

GCOVWSRXZCWSIR-UHFFFAOYSA-N

Compound name

N'-[(4-chlorophenyl)-phenylmethyl]-N,N-dimethylmethanimidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 272.10803 Da
Monoisotopic Mass: 3.8
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]+	273.115306	164.0
[M+Na]+	295.097248	170.4
[M-H]-	271.100754	172.8
[M+NH4]+	290.141853	181.5
[M+K]+	311.071188	166.1
[M+H-H2O]+	255.105290	156.0
[M+HCOO]-	317.106231	186.3
[M+CH3COO]-	331.121881	208.0
[M+Na-2H]-	293.082696	168.8
[M]+	272.10748142	166.8
[M]-	272.10857858	166.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe