CID 45051124

N-(2-benzylphenyl)-n'-phenylurea

Structural Information

Molecular Formula
C20H18N2O
SMILES
C1=CC=C(C=C1)CC2=CC=CC=C2NC(=O)NC3=CC=CC=C3
InChI
InChI=1S/C20H18N2O/c23-20(21-18-12-5-2-6-13-18)22-19-14-8-7-11-17(19)15-16-9-3-1-4-10-16/h1-14H,15H2,(H2,21,22,23)
InChIKey
AZHXYJHZBKPSMZ-UHFFFAOYSA-N
Compound name
1-(2-benzylphenyl)-3-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.1419 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.14918 170.9
[M+Na]+ 325.13112 175.4
[M-H]- 301.13462 180.0
[M+NH4]+ 320.17572 184.3
[M+K]+ 341.10506 169.9
[M+H-H2O]+ 285.13916 161.2
[M+HCOO]- 347.14010 195.9
[M+CH3COO]- 361.15575 181.5
[M+Na-2H]- 323.11657 177.2
[M]+ 302.14135 168.2
[M]- 302.14245 168.2
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.