CID 4610559

97627-18-4

Structural Information

Molecular Formula
C12H9Cl2N3O
SMILES
C1=CC(=C(C(=C1)Cl)NC(=O)NC2=CN=CC=C2)Cl
InChI
InChI=1S/C12H9Cl2N3O/c13-9-4-1-5-10(14)11(9)17-12(18)16-8-3-2-6-15-7-8/h1-7H,(H2,16,17,18)
InChIKey
LCVQWTZZWZTSCY-UHFFFAOYSA-N
Compound name
1-(2,6-dichlorophenyl)-3-pyridin-3-ylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

281.01227 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.01955 158.7
[M+Na]+ 304.00149 167.5
[M-H]- 280.00499 163.5
[M+NH4]+ 299.04609 174.0
[M+K]+ 319.97543 161.2
[M+H-H2O]+ 264.00953 151.8
[M+HCOO]- 326.01047 174.2
[M+CH3COO]- 340.02612 199.7
[M+Na-2H]- 301.98694 164.7
[M]+ 281.01172 160.4
[M]- 281.01282 160.4
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