CID 71315566

Depropylamino chloro propafenone

Structural Information

Molecular Formula

C₁₈H₁₉ClO₃

SMILES

C1=CC=C(C=C1)CCC(=O)C2=CC=CC=C2OCC(CCl)O

InChI

InChI=1S/C18H19ClO3/c19-12-15(20)13-22-18-9-5-4-8-16(18)17(21)11-10-14-6-2-1-3-7-14/h1-9,15,20H,10-13H2

InChIKey

MSNQYFAIUPNYQK-UHFFFAOYSA-N

Compound name

1-[2-(3-chloro-2-hydroxypropoxy)phenyl]-3-phenylpropan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 318.10226 Da
Monoisotopic Mass: 3.4
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]+	319.109536	173.0
[M+Na]+	341.091478	178.7
[M-H]-	317.094984	177.6
[M+NH4]+	336.136083	187.1
[M+K]+	357.065418	173.3
[M+H-H2O]+	301.099520	165.9
[M+HCOO]-	363.100461	188.9
[M+CH3COO]-	377.116111	203.2
[M+Na-2H]-	339.076926	174.9
[M]+	318.10171142	176.7
[M]-	318.10280858	176.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe