CID 11668200

Chembl199777

Structural Information

Molecular Formula
C19H15Cl2N3O2
SMILES
C1=CC=C(C=C1)COC2=C(N=CC=C2)NC(=O)NC3=C(C(=CC=C3)Cl)Cl
InChI
InChI=1S/C19H15Cl2N3O2/c20-14-8-4-9-15(17(14)21)23-19(25)24-18-16(10-5-11-22-18)26-12-13-6-2-1-3-7-13/h1-11H,12H2,(H2,22,23,24,25)
InChIKey
SQAQIAAKLDWBKA-UHFFFAOYSA-N
Compound name
1-(2,3-dichlorophenyl)-3-(3-phenylmethoxypyridin-2-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

387.05414 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.06142 187.0
[M+Na]+ 410.04336 194.8
[M-H]- 386.04686 194.5
[M+NH4]+ 405.08796 197.6
[M+K]+ 426.01730 187.5
[M+H-H2O]+ 370.05140 177.7
[M+HCOO]- 432.05234 201.6
[M+CH3COO]- 446.06799 196.6
[M+Na-2H]- 408.02881 191.3
[M]+ 387.05359 190.8
[M]- 387.05469 190.8
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

No patent data available for this compound.