CID 734393

N-(4-acetylphenyl)-n'-(3-chlorophenyl)urea

Structural Information

Molecular Formula
C15H13ClN2O2
SMILES
CC(=O)C1=CC=C(C=C1)NC(=O)NC2=CC(=CC=C2)Cl
InChI
InChI=1S/C15H13ClN2O2/c1-10(19)11-5-7-13(8-6-11)17-15(20)18-14-4-2-3-12(16)9-14/h2-9H,1H3,(H2,17,18,20)
InChIKey
PWWHZOQXRNMTRH-UHFFFAOYSA-N
Compound name
1-(4-acetylphenyl)-3-(3-chlorophenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

17
Patents

288.06656 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.07384 164.4
[M+Na]+ 311.05578 171.6
[M-H]- 287.05928 171.3
[M+NH4]+ 306.10038 180.1
[M+K]+ 327.02972 166.6
[M+H-H2O]+ 271.06382 157.4
[M+HCOO]- 333.06476 184.9
[M+CH3COO]- 347.08041 203.8
[M+Na-2H]- 309.04123 168.3
[M]+ 288.06601 165.7
[M]- 288.06711 165.7
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