CID 769416

N-(4-chlorophenyl)-n'-(2-pyridinyl)urea

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

6
References

2
Patents

247.05124 Da
Monoisotopic Mass

2.6
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

patents stripe