CID 5130172

N-alpha-(3-chloro-para-tolyl)-n4,n4-dimethyl-alpha,4-toluenediamine

Structural Information

Molecular Formula

C₁₆H₁₉ClN₂

SMILES

CC1=C(C=C(C=C1)NCC2=CC=C(C=C2)N(C)C)Cl

InChI

InChI=1S/C16H19ClN2/c1-12-4-7-14(10-16(12)17)18-11-13-5-8-15(9-6-13)19(2)3/h4-10,18H,11H2,1-3H3

InChIKey

MNIONWVQQXZIRT-UHFFFAOYSA-N

Compound name

3-chloro-N-[[4-(dimethylamino)phenyl]methyl]-4-methylaniline

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 274.1237 Da
Monoisotopic Mass: 4.5
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]+	275.130976	164.6
[M+Na]+	297.112918	172.4
[M-H]-	273.116424	172.6
[M+NH4]+	292.157523	182.1
[M+K]+	313.086858	167.4
[M+H-H2O]+	257.120960	157.2
[M+HCOO]-	319.121901	186.2
[M+CH3COO]-	333.137551	208.3
[M+Na-2H]-	295.098366	168.7
[M]+	274.12315142	167.6
[M]-	274.12424858	167.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.