CID 68907

Lozilurea

Structural Information

Molecular Formula

C₁₀H₁₃ClN₂O

SMILES

CCNC(=O)NCC1=CC(=CC=C1)Cl

InChI

InChI=1S/C10H13ClN2O/c1-2-12-10(14)13-7-8-4-3-5-9(11)6-8/h3-6H,2,7H2,1H3,(H2,12,13,14)

InChIKey

ATMWYLVZVAXVDZ-UHFFFAOYSA-N

Compound name

1-[(3-chlorophenyl)methyl]-3-ethylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 11
References: 71
Patents: 212.07164 Da
Monoisotopic Mass: 1.9
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]+	213.07892	146.2
[M+Na]+	235.06086	153.4
[M-H]-	211.06436	149.8
[M+NH4]+	230.10546	165.4
[M+K]+	251.03480	149.4
[M+H-H2O]+	195.06890	140.7
[M+HCOO]-	257.06984	167.4
[M+CH3COO]-	271.08549	189.7
[M+Na-2H]-	233.04631	151.9
[M]+	212.07109	147.4
[M]-	212.07219	147.4

Literature stripe

literature stripe

Patent stripe

patents stripe