CID 4053321

95886-08-1

Structural Information

Molecular Formula

C₁₆H₁₆ClNO₂

SMILES

COC1=CC=C(C=C1)C(=O)CCNC2=CC=C(C=C2)Cl

InChI

InChI=1S/C16H16ClNO2/c1-20-15-8-2-12(3-9-15)16(19)10-11-18-14-6-4-13(17)5-7-14/h2-9,18H,10-11H2,1H3

InChIKey

DJXAYUOJOBDLHR-UHFFFAOYSA-N

Compound name

3-(4-chloroanilino)-1-(4-methoxyphenyl)propan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 289.08694 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]+	290.094216	165.1
[M+Na]+	312.076158	172.6
[M-H]-	288.079664	171.6
[M+NH4]+	307.120763	181.2
[M+K]+	328.050098	167.3
[M+H-H2O]+	272.084200	157.9
[M+HCOO]-	334.085141	184.9
[M+CH3COO]-	348.100791	203.0
[M+Na-2H]-	310.061606	169.3
[M]+	289.08639142	168.8
[M]-	289.08748858	168.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.