CID 98685

1-ethyl-1,3-diphenylurea

Structural Information

Molecular Formula
C15H16N2O
SMILES
CCN(C1=CC=CC=C1)C(=O)NC2=CC=CC=C2
InChI
InChI=1S/C15H16N2O/c1-2-17(14-11-7-4-8-12-14)15(18)16-13-9-5-3-6-10-13/h3-12H,2H2,1H3,(H,16,18)
InChIKey
NCPIMZDJJZLMCF-UHFFFAOYSA-N
Compound name
1-ethyl-1,3-diphenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

68
Patents

240.12627 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.13355 156.7
[M+Na]+ 263.11549 169.4
[M+NH4]+ 258.16009 165.5
[M+K]+ 279.08943 161.8
[M-H]- 239.11899 162.7
[M+Na-2H]- 261.10094 166.8
[M]+ 240.12572 160.2
[M]- 240.12682 160.2
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