CID 280363

1-benzyl-3-phenylurea

Structural Information

Molecular Formula
C14H14N2O
SMILES
C1=CC=C(C=C1)CNC(=O)NC2=CC=CC=C2
InChI
InChI=1S/C14H14N2O/c17-14(16-13-9-5-2-6-10-13)15-11-12-7-3-1-4-8-12/h1-10H,11H2,(H2,15,16,17)
InChIKey
XXFBRXQVPJVXFB-UHFFFAOYSA-N
Compound name
1-benzyl-3-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

134
Patents

226.11061 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.11789 150.0
[M+Na]+ 249.09983 155.0
[M-H]- 225.10333 156.3
[M+NH4]+ 244.14443 166.9
[M+K]+ 265.07377 151.4
[M+H-H2O]+ 209.10787 142.0
[M+HCOO]- 271.10881 175.9
[M+CH3COO]- 285.12446 192.6
[M+Na-2H]- 247.08528 157.7
[M]+ 226.11006 147.6
[M]- 226.11116 147.6
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