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]+ 248.058516 152.3
[M+Na]+ 270.040458 159.8
[M-H]- 246.043964 157.6
[M+NH4]+ 265.085063 168.2
[M+K]+ 286.014398 154.7
[M+H-H2O]+ 230.048500 144.5
[M+HCOO]- 292.049441 172.9
[M+CH3COO]- 306.065091 194.1
[M+Na-2H]- 268.025906 159.9
[M]+ 247.05069142 152.3
[M]- 247.05178858 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.