CID 89457

21165-62-8

Structural Information

Molecular Formula

C₁₆H₁₆ClN

SMILES

CNCC=C(C1=CC=CC=C1)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C16H16ClN/c1-18-12-11-16(13-5-3-2-4-6-13)14-7-9-15(17)10-8-14/h2-11,18H,12H2,1H3

InChIKey

XJUQTHOFEKNMBY-UHFFFAOYSA-N

Compound name

3-(4-chlorophenyl)-N-methyl-3-phenylprop-2-en-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 257.09714 Da
Monoisotopic Mass: 4.4
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]+	258.10442	159.3
[M+Na]+	280.08636	166.1
[M-H]-	256.08986	165.4
[M+NH4]+	275.13096	176.6
[M+K]+	296.06030	159.5
[M+H-H2O]+	240.09440	152.4
[M+HCOO]-	302.09534	178.7
[M+CH3COO]-	316.11099	197.1
[M+Na-2H]-	278.07181	164.2
[M]+	257.09659	159.6
[M]-	257.09769	159.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe