CID 564990

1-(3-chlorophenyl)-3-pyridin-2-ylurea

Structural Information

Molecular Formula
C12H10ClN3O
SMILES
C1=CC=NC(=C1)NC(=O)NC2=CC(=CC=C2)Cl
InChI
InChI=1S/C12H10ClN3O/c13-9-4-3-5-10(8-9)15-12(17)16-11-6-1-2-7-14-11/h1-8H,(H2,14,15,16,17)
InChIKey
LEDPUJHOWZLFHO-UHFFFAOYSA-N
Compound name
1-(3-chlorophenyl)-3-pyridin-2-ylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

247.05124 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.05852 153.1
[M+Na]+ 270.04046 167.1
[M+NH4]+ 265.08506 161.5
[M+K]+ 286.01440 159.3
[M-H]- 246.04396 158.0
[M+Na-2H]- 268.02591 163.1
[M]+ 247.05069 156.6
[M]- 247.05179 156.6
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.