CID 302973

3-(2-chlorophenyl)-1,1-diethylurea

Structural Information

Molecular Formula
C11H15ClN2O
SMILES
CCN(CC)C(=O)NC1=CC=CC=C1Cl
InChI
InChI=1S/C11H15ClN2O/c1-3-14(4-2)11(15)13-10-8-6-5-7-9(10)12/h5-8H,3-4H2,1-2H3,(H,13,15)
InChIKey
HOYVHYMAJSVJOJ-UHFFFAOYSA-N
Compound name
3-(2-chlorophenyl)-1,1-diethylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

226.0873 Da
Monoisotopic Mass

2.0
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

No literature data available for this compound.

Patent stripe

patents stripe