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]+ 291.089476 165.0
[M+Na]+ 313.071418 170.5
[M-H]- 289.074924 170.0
[M+NH4]+ 308.116023 179.7
[M+K]+ 329.045358 165.2
[M+H-H2O]+ 273.079460 158.0
[M+HCOO]- 335.080401 183.8
[M+CH3COO]- 349.096051 201.0
[M+Na-2H]- 311.056866 169.2
[M]+ 290.08165142 164.7
[M]- 290.08274858 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.