CID 5204080

1-acetyl-3-(4-chlorophenyl)-1-ethylurea

Structural Information

Molecular Formula

C₁₁H₁₃ClN₂O₂

SMILES

CCN(C(=O)C)C(=O)NC1=CC=C(C=C1)Cl

InChI

InChI=1S/C11H13ClN2O2/c1-3-14(8(2)15)11(16)13-10-6-4-9(12)5-7-10/h4-7H,3H2,1-2H3,(H,13,16)

InChIKey

RKSBZTLNZPUAQM-UHFFFAOYSA-N

Compound name

N-[(4-chlorophenyl)carbamoyl]-N-ethylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 240.06656 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]+	241.073836	152.7
[M+Na]+	263.055778	159.7
[M-H]-	239.059284	157.8
[M+NH4]+	258.100383	171.3
[M+K]+	279.029718	157.4
[M+H-H2O]+	223.063820	146.9
[M+HCOO]-	285.064761	173.6
[M+CH3COO]-	299.080411	197.6
[M+Na-2H]-	261.041226	156.0
[M]+	240.06601142	155.6
[M]-	240.06710858	155.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.