CID 57339424

Chembl2159512

Structural Information

Molecular Formula
C17H19Cl2N3O
SMILES
C1=CC=C(C=C1)NC(=O)NCCCNCC2=CC(=CC(=C2)Cl)Cl
InChI
InChI=1S/C17H19Cl2N3O/c18-14-9-13(10-15(19)11-14)12-20-7-4-8-21-17(23)22-16-5-2-1-3-6-16/h1-3,5-6,9-11,20H,4,7-8,12H2,(H2,21,22,23)
InChIKey
FFIHIYODYIKHMJ-UHFFFAOYSA-N
Compound name
1-[3-[(3,5-dichlorophenyl)methylamino]propyl]-3-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

351.0905 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.09778 181.8
[M+Na]+ 374.07972 187.7
[M-H]- 350.08322 187.1
[M+NH4]+ 369.12432 195.3
[M+K]+ 390.05366 180.4
[M+H-H2O]+ 334.08776 174.7
[M+HCOO]- 396.08870 198.0
[M+CH3COO]- 410.10435 216.8
[M+Na-2H]- 372.06517 185.3
[M]+ 351.08995 184.3
[M]- 351.09105 184.3
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.