CID 475290

1-[2-(2-chloro-6-fluoro-3-hydroxy-phenyl)cyclopropyl]-3-(5-chloro-2-pyridyl)urea

Structural Information

Molecular Formula
C15H12Cl2FN3O2
SMILES
C1C(C1NC(=O)NC2=NC=C(C=C2)Cl)C3=C(C=CC(=C3Cl)O)F
InChI
InChI=1S/C15H12Cl2FN3O2/c16-7-1-4-12(19-6-7)21-15(23)20-10-5-8(10)13-9(18)2-3-11(22)14(13)17/h1-4,6,8,10,22H,5H2,(H2,19,20,21,23)
InChIKey
NTNATEYJPONKDY-UHFFFAOYSA-N
Compound name
1-[2-(2-chloro-6-fluoro-3-hydroxyphenyl)cyclopropyl]-3-(5-chloropyridin-2-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

355.02905 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.03633 167.6
[M+Na]+ 378.01827 178.3
[M-H]- 354.02177 173.6
[M+NH4]+ 373.06287 175.2
[M+K]+ 393.99221 170.2
[M+H-H2O]+ 338.02631 160.1
[M+HCOO]- 400.02725 180.8
[M+CH3COO]- 414.04290 215.0
[M+Na-2H]- 376.00372 169.9
[M]+ 355.02850 171.3
[M]- 355.02960 171.3
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.