CID 307284

1-(2-chlorophenyl)-3-(1-phenylethyl)urea

Structural Information

Molecular Formula
C15H15ClN2O
SMILES
CC(C1=CC=CC=C1)NC(=O)NC2=CC=CC=C2Cl
InChI
InChI=1S/C15H15ClN2O/c1-11(12-7-3-2-4-8-12)17-15(19)18-14-10-6-5-9-13(14)16/h2-11H,1H3,(H2,17,18,19)
InChIKey
MOQXMCPULBKRLX-UHFFFAOYSA-N
Compound name
1-(2-chlorophenyl)-3-(1-phenylethyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.08728 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.09456 162.5
[M+Na]+ 297.07650 168.5
[M-H]- 273.08000 168.8
[M+NH4]+ 292.12110 178.6
[M+K]+ 313.05044 163.4
[M+H-H2O]+ 257.08454 155.3
[M+HCOO]- 319.08548 182.5
[M+CH3COO]- 333.10113 201.3
[M+Na-2H]- 295.06195 167.0
[M]+ 274.08673 162.6
[M]- 274.08783 162.6
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.