CID 759079

1-(4-chlorophenyl)-3-pyridin-3-ylurea

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

8
References

3
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

patents stripe