CID 5194568

Chembl442178

Structural Information

Molecular Formula

C₁₅H₂₂Cl₂N₂O

SMILES

CCCCN(CCCC)C(=O)NC1=CC(=CC(=C1)Cl)Cl

InChI

InChI=1S/C15H22Cl2N2O/c1-3-5-7-19(8-6-4-2)15(20)18-14-10-12(16)9-13(17)11-14/h9-11H,3-8H2,1-2H3,(H,18,20)

InChIKey

XYOUIZSNPKALSK-UHFFFAOYSA-N

Compound name

1,1-dibutyl-3-(3,5-dichlorophenyl)urea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 316.11093 Da
Monoisotopic Mass: 4.9
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]+	317.11821	173.8
[M+Na]+	339.10015	185.5
[M+NH4]+	334.14475	181.5
[M+K]+	355.07409	177.3
[M-H]-	315.10365	176.7
[M+Na-2H]-	337.08560	179.1
[M]+	316.11038	176.8
[M]-	316.11148	176.8

Literature stripe

literature stripe

Patent stripe

patents stripe