CID 3411091

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

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

4
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 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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.