CID 11640412

Chembl201705

Structural Information

Molecular Formula
C19H14Cl3N3O2
SMILES
C1=CC=C(C=C1)COC2=C(N=CC=C2)NC(=O)NC3=CC(=C(C=C3Cl)Cl)Cl
InChI
InChI=1S/C19H14Cl3N3O2/c20-13-9-15(22)16(10-14(13)21)24-19(26)25-18-17(7-4-8-23-18)27-11-12-5-2-1-3-6-12/h1-10H,11H2,(H2,23,24,25,26)
InChIKey
CRHQABYRURQLML-UHFFFAOYSA-N
Compound name
1-(3-phenylmethoxypyridin-2-yl)-3-(2,4,5-trichlorophenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

421.01517 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.02245 192.4
[M+Na]+ 444.00439 200.9
[M-H]- 420.00789 198.7
[M+NH4]+ 439.04899 202.0
[M+K]+ 459.97833 193.4
[M+H-H2O]+ 404.01243 183.8
[M+HCOO]- 466.01337 201.4
[M+CH3COO]- 480.02902 201.1
[M+Na-2H]- 441.98984 194.8
[M]+ 421.01462 197.0
[M]- 421.01572 197.0
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.