CID 3059245

76267-09-9

Structural Information

Molecular Formula

C₁₀H₁₂ClN₃O₂

SMILES

CCNC(=O)N(C1=CC(=CC=C1)Cl)C(=O)N

InChI

InChI=1S/C10H12ClN3O2/c1-2-13-10(16)14(9(12)15)8-5-3-4-7(11)6-8/h3-6H,2H2,1H3,(H2,12,15)(H,13,16)

InChIKey

DRDGFSNTFVXQPD-UHFFFAOYSA-N

Compound name

1-carbamoyl-1-(3-chlorophenyl)-3-ethylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 241.0618 Da
Monoisotopic Mass: 2.4
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]+	242.069076	153.3
[M+Na]+	264.051018	159.7
[M-H]-	240.054524	157.9
[M+NH4]+	259.095623	171.1
[M+K]+	280.024958	157.4
[M+H-H2O]+	224.059060	147.2
[M+HCOO]-	286.060001	174.8
[M+CH3COO]-	300.075651	199.1
[M+Na-2H]-	262.036466	156.2
[M]+	241.06125142	154.0
[M]-	241.06234858	154.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe