CID 3717527

3-(p-anisyl)-1,1-dibenzylurea

Structural Information

Molecular Formula

C₂₂H₂₂N₂O₂

SMILES

COC1=CC=C(C=C1)NC(=O)N(CC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C22H22N2O2/c1-26-21-14-12-20(13-15-21)23-22(25)24(16-18-8-4-2-5-9-18)17-19-10-6-3-7-11-19/h2-15H,16-17H2,1H3,(H,23,25)

InChIKey

GTAZWVNPSJYNIY-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 346.16812 Da
Monoisotopic Mass: 4.1
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]+	347.17540	184.0
[M+Na]+	369.15734	187.5
[M-H]-	345.16084	194.1
[M+NH4]+	364.20194	196.0
[M+K]+	385.13128	183.6
[M+H-H2O]+	329.16538	173.3
[M+HCOO]-	391.16632	208.9
[M+CH3COO]-	405.18197	219.0
[M+Na-2H]-	367.14279	188.4
[M]+	346.16757	184.5
[M]-	346.16867	184.5

Literature stripe

literature stripe

Patent stripe

patents stripe