CID 292416

Chembl3594264

Structural Information

Molecular Formula

C₁₅H₁₇ClN₂

SMILES

CN(C)C1=CC=C(C=C1)CNC2=CC=C(C=C2)Cl

InChI

InChI=1S/C15H17ClN2/c1-18(2)15-9-3-12(4-10-15)11-17-14-7-5-13(16)6-8-14/h3-10,17H,11H2,1-2H3

InChIKey

FWKSHKCNVMHOIW-UHFFFAOYSA-N

Compound name

4-[(4-chloroanilino)methyl]-N,N-dimethylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 8
Patents: 260.10803 Da
Monoisotopic Mass: 4.2
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]+	261.11531	160.2
[M+Na]+	283.09725	175.3
[M+NH4]+	278.14185	170.2
[M+K]+	299.07119	165.9
[M-H]-	259.10075	167.2
[M+Na-2H]-	281.08270	170.8
[M]+	260.10748	164.8
[M]-	260.10858	164.8

Literature stripe

literature stripe

Patent stripe

patents stripe