CID 3411091

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

Structural Information

Molecular Formula
C22H22N2O2
SMILES
COC1=CC=CC(=C1)NC(=O)N(CC2=CC=CC=C2)CC3=CC=CC=C3
InChI
InChI=1S/C22H22N2O2/c1-26-21-14-8-13-20(15-21)23-22(25)24(16-18-9-4-2-5-10-18)17-19-11-6-3-7-12-19/h2-15H,16-17H2,1H3,(H,23,25)
InChIKey
ZWFACHSZQCZGDM-UHFFFAOYSA-N
Compound name
1,1-dibenzyl-3-(3-methoxyphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

346.16812 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.17540 186.0
[M+Na]+ 369.15734 200.0
[M+NH4]+ 364.20194 194.1
[M+K]+ 385.13128 191.0
[M-H]- 345.16084 194.1
[M+Na-2H]- 367.14279 197.6
[M]+ 346.16757 190.3
[M]- 346.16867 190.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe