CID 1809198

73953-71-6

Structural Information

Molecular Formula

C₁₄H₂₀ClN₃O₂

SMILES

C1COCCN1CCCNC(=O)NC2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H20ClN3O2/c15-12-2-4-13(5-3-12)17-14(19)16-6-1-7-18-8-10-20-11-9-18/h2-5H,1,6-11H2,(H2,16,17,19)

InChIKey

ZDXDBWOQLMRZPB-UHFFFAOYSA-N

Compound name

1-(4-chlorophenyl)-3-(3-morpholin-4-ylpropyl)urea

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 5
References: 2
Patents: 297.1244 Da
Monoisotopic Mass: 1.6
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]+	298.13168	170.0
[M+Na]+	320.11362	173.5
[M-H]-	296.11712	174.4
[M+NH4]+	315.15822	182.2
[M+K]+	336.08756	170.1
[M+H-H2O]+	280.12166	161.3
[M+HCOO]-	342.12260	184.8
[M+CH3COO]-	356.13825	203.4
[M+Na-2H]-	318.09907	174.1
[M]+	297.12385	168.4
[M]-	297.12495	168.4

Literature stripe

literature stripe

Patent stripe

patents stripe