CID 311086

86764-33-2

Structural Information

Molecular Formula

C₂₃H₂₄N₂O

SMILES

CC1=CC(=C(C=C1)C)NC(=O)N(CC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C23H24N2O/c1-18-13-14-19(2)22(15-18)24-23(26)25(16-20-9-5-3-6-10-20)17-21-11-7-4-8-12-21/h3-15H,16-17H2,1-2H3,(H,24,26)

InChIKey

FAWLTDQJGLLZAO-UHFFFAOYSA-N

Compound name

1,1-dibenzyl-3-(2,5-dimethylphenyl)urea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 344.18887 Da
Monoisotopic Mass: 4.5
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]+	345.19615	187.3
[M+Na]+	367.17809	202.0
[M+NH4]+	362.22269	195.9
[M+K]+	383.15203	192.4
[M-H]-	343.18159	196.0
[M+Na-2H]-	365.16354	198.9
[M]+	344.18832	192.0
[M]-	344.18942	192.0

Literature stripe

literature stripe

Patent stripe

patents stripe