CID 3053897

Acetamide, n-(2-benzoyl-4-chlorophenyl)-n-methyl-2-(2-propenylamino)-, monohydrochloride

Structural Information

Molecular Formula

C₁₉H₁₉ClN₂O₂

SMILES

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

InChI

InChI=1S/C19H19ClN2O2/c1-3-11-21-13-18(23)22(2)17-10-9-15(20)12-16(17)19(24)14-7-5-4-6-8-14/h3-10,12,21H,1,11,13H2,2H3

InChIKey

LRPOSRBSFGWBFF-UHFFFAOYSA-N

Compound name

N-(2-benzoyl-4-chlorophenyl)-N-methyl-2-(prop-2-enylamino)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 342.1135 Da
Monoisotopic Mass: 3.5
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]+	343.120776	181.5
[M+Na]+	365.102718	187.2
[M-H]-	341.106224	189.0
[M+NH4]+	360.147323	195.4
[M+K]+	381.076658	182.0
[M+H-H2O]+	325.110760	173.4
[M+HCOO]-	387.111701	201.2
[M+CH3COO]-	401.127351	218.9
[M+Na-2H]-	363.088166	182.5
[M]+	342.11295142	184.7
[M]-	342.11404858	184.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.