CID 791722

1,1-dibenzyl-3-phenylurea

Structural Information

Molecular Formula
C21H20N2O
SMILES
C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=O)NC3=CC=CC=C3
InChI
InChI=1S/C21H20N2O/c24-21(22-20-14-8-3-9-15-20)23(16-18-10-4-1-5-11-18)17-19-12-6-2-7-13-19/h1-15H,16-17H2,(H,22,24)
InChIKey
PTHTXCJHLYXEMB-UHFFFAOYSA-N
Compound name
1,1-dibenzyl-3-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

2
Patents

316.15756 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.16484 175.9
[M+Na]+ 339.14678 179.1
[M-H]- 315.15028 185.7
[M+NH4]+ 334.19138 189.0
[M+K]+ 355.12072 174.6
[M+H-H2O]+ 299.15482 165.6
[M+HCOO]- 361.15576 201.0
[M+CH3COO]- 375.17141 212.9
[M+Na-2H]- 337.13223 181.6
[M]+ 316.15701 174.3
[M]- 316.15811 174.3
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