CID 3436734

86764-43-4

Structural Information

Molecular Formula

C₂₁H₁₉ClN₂O

SMILES

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H19ClN2O/c22-19-11-13-20(14-12-19)23-21(25)24(15-17-7-3-1-4-8-17)16-18-9-5-2-6-10-18/h1-14H,15-16H2,(H,23,25)

InChIKey

XBUCDZCDAXWTPJ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 350.1186 Da
Monoisotopic Mass: 4.7
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]+	351.12588	185.4
[M+Na]+	373.10782	201.0
[M+NH4]+	368.15242	194.6
[M+K]+	389.08176	190.7
[M-H]-	349.11132	194.0
[M+Na-2H]-	371.09327	197.7
[M]+	350.11805	190.6
[M]-	350.11915	190.6

Literature stripe

literature stripe

Patent stripe

patents stripe