CID 5069328

1-benzyl-3-(5-chloro-2-methylphenyl)urea

Structural Information

Molecular Formula
C15H15ClN2O
SMILES
CC1=C(C=C(C=C1)Cl)NC(=O)NCC2=CC=CC=C2
InChI
InChI=1S/C15H15ClN2O/c1-11-7-8-13(16)9-14(11)18-15(19)17-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H2,17,18,19)
InChIKey
OYUSEAURFKRCQH-UHFFFAOYSA-N
Compound name
1-benzyl-3-(5-chloro-2-methylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

274.08728 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.09456 162.4
[M+Na]+ 297.07650 169.7
[M-H]- 273.08000 169.1
[M+NH4]+ 292.12110 179.0
[M+K]+ 313.05044 164.1
[M+H-H2O]+ 257.08454 155.4
[M+HCOO]- 319.08548 183.4
[M+CH3COO]- 333.10113 201.6
[M+Na-2H]- 295.06195 167.5
[M]+ 274.08673 163.5
[M]- 274.08783 163.5
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

No patent data available for this compound.