CID 5858764

R7da4era6a

Structural Information

Molecular Formula

C₁₇H₁₅ClN₂

SMILES

CN(C)C1=CC=C(C=C1)/C=C(\C#N)/C2=CC(=CC=C2)Cl

InChI

InChI=1S/C17H15ClN2/c1-20(2)17-8-6-13(7-9-17)10-15(12-19)14-4-3-5-16(18)11-14/h3-11H,1-2H3/b15-10+

InChIKey

QMQIRPOOHNVHLU-XNTDXEJSSA-N

Compound name

(Z)-2-(3-chlorophenyl)-3-[4-(dimethylamino)phenyl]prop-2-enenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 282.09238 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]+	283.099656	171.2
[M+Na]+	305.081598	181.2
[M-H]-	281.085104	177.4
[M+NH4]+	300.126203	186.3
[M+K]+	321.055538	173.8
[M+H-H2O]+	265.089640	157.6
[M+HCOO]-	327.090581	187.2
[M+CH3COO]-	341.106231	215.4
[M+Na-2H]-	303.067046	173.1
[M]+	282.09183142	167.9
[M]-	282.09292858	167.9

Literature stripe

literature stripe

Patent stripe

patents stripe