CID 3667435

1-butyl-3-(3-chlorophenyl)urea

Structural Information

Molecular Formula

C₁₁H₁₅ClN₂O

SMILES

CCCCNC(=O)NC1=CC(=CC=C1)Cl

InChI

InChI=1S/C11H15ClN2O/c1-2-3-7-13-11(15)14-10-6-4-5-9(12)8-10/h4-6,8H,2-3,7H2,1H3,(H2,13,14,15)

InChIKey

TVVLFJCDNMLXSQ-UHFFFAOYSA-N

Compound name

1-butyl-3-(3-chlorophenyl)urea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 226.0873 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]+	227.09458	150.1
[M+Na]+	249.07652	161.6
[M+NH4]+	244.12112	158.3
[M+K]+	265.05046	154.3
[M-H]-	225.08002	153.0
[M+Na-2H]-	247.06197	156.6
[M]+	226.08675	152.7
[M]-	226.08785	152.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe