CID 567779

3-(3-chlorophenyl)-1,1-diethylurea

Structural Information

Molecular Formula
C11H15ClN2O
SMILES
CCN(CC)C(=O)NC1=CC(=CC=C1)Cl
InChI
InChI=1S/C11H15ClN2O/c1-3-14(4-2)11(15)13-10-7-5-6-9(12)8-10/h5-8H,3-4H2,1-2H3,(H,13,15)
InChIKey
FXODCODKNPOVAX-UHFFFAOYSA-N
Compound name
3-(3-chlorophenyl)-1,1-diethylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

1
Patents

226.0873 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.09458 151.0
[M+Na]+ 249.07652 157.8
[M-H]- 225.08002 155.8
[M+NH4]+ 244.12112 170.3
[M+K]+ 265.05046 155.1
[M+H-H2O]+ 209.08456 145.1
[M+HCOO]- 271.08550 172.3
[M+CH3COO]- 285.10115 196.1
[M+Na-2H]- 247.06197 155.4
[M]+ 226.08675 153.8
[M]- 226.08785 153.8
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