CID 4639562

43013-78-1

Structural Information

Molecular Formula

C₁₅H₂₃ClN₂O

SMILES

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

InChI

InChI=1S/C15H23ClN2O/c1-3-5-11-18(12-6-4-2)15(19)17-14-9-7-13(16)8-10-14/h7-10H,3-6,11-12H2,1-2H3,(H,17,19)

InChIKey

IQYBBNFBGBUXSM-UHFFFAOYSA-N

Compound name

1,1-dibutyl-3-(4-chlorophenyl)urea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 282.1499 Da
Monoisotopic Mass: 4.2
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]+	283.15718	169.6
[M+Na]+	305.13912	174.8
[M-H]-	281.14262	173.7
[M+NH4]+	300.18372	186.7
[M+K]+	321.11306	171.0
[M+H-H2O]+	265.14716	162.9
[M+HCOO]-	327.14810	189.6
[M+CH3COO]-	341.16375	208.1
[M+Na-2H]-	303.12457	171.8
[M]+	282.14935	173.9
[M]-	282.15045	173.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe