CID 989417

1-(4-benzoylphenyl)-3-(4-chlorophenyl)urea

Structural Information

Molecular Formula
C20H15ClN2O2
SMILES
C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)NC(=O)NC3=CC=C(C=C3)Cl
InChI
InChI=1S/C20H15ClN2O2/c21-16-8-12-18(13-9-16)23-20(25)22-17-10-6-15(7-11-17)19(24)14-4-2-1-3-5-14/h1-13H,(H2,22,23,25)
InChIKey
NXMOWWCYUYVYSN-UHFFFAOYSA-N
Compound name
1-(4-benzoylphenyl)-3-(4-chlorophenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.0822 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.08948 181.2
[M+Na]+ 373.07142 187.4
[M-H]- 349.07492 190.6
[M+NH4]+ 368.11602 193.7
[M+K]+ 389.04536 180.9
[M+H-H2O]+ 333.07946 172.3
[M+HCOO]- 395.08040 201.2
[M+CH3COO]- 409.09605 214.8
[M+Na-2H]- 371.05687 185.1
[M]+ 350.08165 181.8
[M]- 350.08275 181.8
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.