CID 82861969

1-(4-amino-3-chlorophenyl)-3,3-diethylurea

Structural Information

Molecular Formula
C11H16ClN3O
SMILES
CCN(CC)C(=O)NC1=CC(=C(C=C1)N)Cl
InChI
InChI=1S/C11H16ClN3O/c1-3-15(4-2)11(16)14-8-5-6-10(13)9(12)7-8/h5-7H,3-4,13H2,1-2H3,(H,14,16)
InChIKey
KCSCDAKJJSPFQS-UHFFFAOYSA-N
Compound name
3-(4-amino-3-chlorophenyl)-1,1-diethylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.09819 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.10547 156.0
[M+Na]+ 264.08741 162.9
[M-H]- 240.09091 160.6
[M+NH4]+ 259.13201 174.3
[M+K]+ 280.06135 159.9
[M+H-H2O]+ 224.09545 149.9
[M+HCOO]- 286.09639 177.7
[M+CH3COO]- 300.11204 201.8
[M+Na-2H]- 262.07286 158.8
[M]+ 241.09764 157.4
[M]- 241.09874 157.4
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.