CID 4610548

Alpha-(3-chloro-p-tolylimino)-n,n-dimethyl-p-toluidine

Structural Information

Molecular Formula

C₁₆H₁₇ClN₂

SMILES

CC1=C(C=C(C=C1)N=CC2=CC=C(C=C2)N(C)C)Cl

InChI

InChI=1S/C16H17ClN2/c1-12-4-7-14(10-16(12)17)18-11-13-5-8-15(9-6-13)19(2)3/h4-11H,1-3H3

InChIKey

SMYMWAKHEINVMW-UHFFFAOYSA-N

Compound name

4-[(3-chloro-4-methylphenyl)iminomethyl]-N,N-dimethylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 272.10803 Da
Monoisotopic Mass: 4.3
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	163.6
[M+Na]+	295.097248	172.3
[M-H]-	271.100754	173.2
[M+NH4]+	290.141853	182.0
[M+K]+	311.071188	167.6
[M+H-H2O]+	255.105290	156.0
[M+HCOO]-	317.106231	187.0
[M+CH3COO]-	331.121881	209.4
[M+Na-2H]-	293.082696	168.2
[M]+	272.10748142	167.8
[M]-	272.10857858	167.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.