CID 43244628

3-(2-chloropropanamido)-n,n-diethylbenzamide

Structural Information

Molecular Formula

C₁₄H₁₉ClN₂O₂

SMILES

CCN(CC)C(=O)C1=CC(=CC=C1)NC(=O)C(C)Cl

InChI

InChI=1S/C14H19ClN2O2/c1-4-17(5-2)14(19)11-7-6-8-12(9-11)16-13(18)10(3)15/h6-10H,4-5H2,1-3H3,(H,16,18)

InChIKey

QTGRSOUNUZEXMQ-UHFFFAOYSA-N

Compound name

3-(2-chloropropanoylamino)-N,N-diethylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 282.1135 Da
Monoisotopic Mass: 2.3
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]+	283.120776	166.4
[M+Na]+	305.102718	171.7
[M-H]-	281.106224	171.0
[M+NH4]+	300.147323	183.2
[M+K]+	321.076658	169.3
[M+H-H2O]+	265.110760	160.1
[M+HCOO]-	327.111701	185.3
[M+CH3COO]-	341.127351	208.1
[M+Na-2H]-	303.088166	166.9
[M]+	282.11295142	169.9
[M]-	282.11404858	169.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.