CID 3829744

1,1-dibenzyl-3-(p-tolyl)urea

Structural Information

Molecular Formula
C22H22N2O
SMILES
CC1=CC=C(C=C1)NC(=O)N(CC2=CC=CC=C2)CC3=CC=CC=C3
InChI
InChI=1S/C22H22N2O/c1-18-12-14-21(15-13-18)23-22(25)24(16-19-8-4-2-5-9-19)17-20-10-6-3-7-11-20/h2-15H,16-17H2,1H3,(H,23,25)
InChIKey
UQTSCLRTSKBRST-UHFFFAOYSA-N
Compound name
1,1-dibenzyl-3-(4-methylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

330.17322 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.18050 180.8
[M+Na]+ 353.16244 184.5
[M-H]- 329.16594 190.9
[M+NH4]+ 348.20704 193.7
[M+K]+ 369.13638 179.9
[M+H-H2O]+ 313.17048 170.4
[M+HCOO]- 375.17142 205.6
[M+CH3COO]- 389.18707 217.0
[M+Na-2H]- 351.14789 185.2
[M]+ 330.17267 180.0
[M]- 330.17377 180.0
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