CID 295294

1-(4-chlorophenyl)-3-(4-methoxyphenyl)urea

Structural Information

Molecular Formula

C₁₄H₁₃ClN₂O₂

SMILES

COC1=CC=C(C=C1)NC(=O)NC2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H13ClN2O2/c1-19-13-8-6-12(7-9-13)17-14(18)16-11-4-2-10(15)3-5-11/h2-9H,1H3,(H2,16,17,18)

InChIKey

QJNLZHXJKUTIJY-UHFFFAOYSA-N

Compound name

1-(4-chlorophenyl)-3-(4-methoxyphenyl)urea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 22
Patents: 276.06656 Da
Monoisotopic Mass: 3.1
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]+	277.07384	161.2
[M+Na]+	299.05578	175.0
[M+NH4]+	294.10038	169.6
[M+K]+	315.02972	167.2
[M-H]-	275.05928	166.5
[M+Na-2H]-	297.04123	170.5
[M]+	276.06601	164.9
[M]-	276.06711	164.9

Literature stripe

literature stripe

Patent stripe

patents stripe