CID 295002

1-benzyl-1,3-diphenylurea

Structural Information

Molecular Formula
C20H18N2O
SMILES
C1=CC=C(C=C1)CN(C2=CC=CC=C2)C(=O)NC3=CC=CC=C3
InChI
InChI=1S/C20H18N2O/c23-20(21-18-12-6-2-7-13-18)22(19-14-8-3-9-15-19)16-17-10-4-1-5-11-17/h1-15H,16H2,(H,21,23)
InChIKey
SYDUSBDEWSTEOP-UHFFFAOYSA-N
Compound name
1-benzyl-1,3-diphenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.1419 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.14918 171.4
[M+Na]+ 325.13112 175.0
[M-H]- 301.13462 181.4
[M+NH4]+ 320.17572 185.0
[M+K]+ 341.10506 170.8
[M+H-H2O]+ 285.13916 161.3
[M+HCOO]- 347.14010 196.8
[M+CH3COO]- 361.15575 182.1
[M+Na-2H]- 323.11657 177.6
[M]+ 302.14135 169.5
[M]- 302.14245 169.5
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

patents stripe