CID 294985

3-(3-chlorophenyl)-1-ethyl-1-phenylurea

Structural Information

Molecular Formula
C15H15ClN2O
SMILES
CCN(C1=CC=CC=C1)C(=O)NC2=CC(=CC=C2)Cl
InChI
InChI=1S/C15H15ClN2O/c1-2-18(14-9-4-3-5-10-14)15(19)17-13-8-6-7-12(16)11-13/h3-11H,2H2,1H3,(H,17,19)
InChIKey
OGZCCGLTBCWOKV-UHFFFAOYSA-N
Compound name
3-(3-chlorophenyl)-1-ethyl-1-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

2
Patents

274.08728 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.094556 162.5
[M+Na]+ 297.076498 169.0
[M-H]- 273.080004 170.3
[M+NH4]+ 292.121103 179.4
[M+K]+ 313.050438 164.7
[M+H-H2O]+ 257.084540 155.1
[M+HCOO]- 319.085481 184.0
[M+CH3COO]- 333.101131 203.8
[M+Na-2H]- 295.061946 167.5
[M]+ 274.08673142 164.5
[M]- 274.08782858 164.5
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

patents stripe