CID 564990

N-(3-chlorophenyl)-n'-(2-pyridinyl)urea

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 152.3
[M+Na]+ 270.04046 159.8
[M-H]- 246.04396 157.6
[M+NH4]+ 265.08506 168.2
[M+K]+ 286.01440 154.7
[M+H-H2O]+ 230.04850 144.5
[M+HCOO]- 292.04944 172.9
[M+CH3COO]- 306.06509 194.1
[M+Na-2H]- 268.02591 159.9
[M]+ 247.05069 152.3
[M]- 247.05179 152.3
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.