CID 468172

1-(5-chloro-2-pyridyl)-3-[2-(2,6-difluorophenyl)cyclopropyl]urea

Structural Information

Molecular Formula
C15H12ClF2N3O
SMILES
C1C(C1NC(=O)NC2=NC=C(C=C2)Cl)C3=C(C=CC=C3F)F
InChI
InChI=1S/C15H12ClF2N3O/c16-8-4-5-13(19-7-8)21-15(22)20-12-6-9(12)14-10(17)2-1-3-11(14)18/h1-5,7,9,12H,6H2,(H2,19,20,21,22)
InChIKey
LVBIXTQEPOAWGY-UHFFFAOYSA-N
Compound name
1-(5-chloropyridin-2-yl)-3-[2-(2,6-difluorophenyl)cyclopropyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

323.0637 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.07098 163.2
[M+Na]+ 346.05292 173.7
[M-H]- 322.05642 169.8
[M+NH4]+ 341.09752 172.0
[M+K]+ 362.02686 166.1
[M+H-H2O]+ 306.06096 153.5
[M+HCOO]- 368.06190 181.6
[M+CH3COO]- 382.07755 212.5
[M+Na-2H]- 344.03837 166.7
[M]+ 323.06315 164.6
[M]- 323.06425 164.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.