CID 2763946

338750-54-2

Structural Information

Molecular Formula
C15H15ClN2O2
SMILES
C1=CC=C(C=C1)C(CO)NC(=O)NC2=CC(=CC=C2)Cl
InChI
InChI=1S/C15H15ClN2O2/c16-12-7-4-8-13(9-12)17-15(20)18-14(10-19)11-5-2-1-3-6-11/h1-9,14,19H,10H2,(H2,17,18,20)
InChIKey
LRFFPDRWLKQRRN-UHFFFAOYSA-N
Compound name
1-(3-chlorophenyl)-3-(2-hydroxy-1-phenylethyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.0822 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.08948 165.0
[M+Na]+ 313.07142 170.5
[M-H]- 289.07492 170.0
[M+NH4]+ 308.11602 179.7
[M+K]+ 329.04536 165.2
[M+H-H2O]+ 273.07946 158.0
[M+HCOO]- 335.08040 183.8
[M+CH3COO]- 349.09605 201.0
[M+Na-2H]- 311.05687 169.2
[M]+ 290.08165 164.7
[M]- 290.08275 164.7
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.