CID 11717355

Chembl198293

Structural Information

Molecular Formula
C19H15F2N3O2
SMILES
C1=CC=C(C=C1)COC2=C(N=CC=C2)NC(=O)NC3=C(C=C(C=C3)F)F
InChI
InChI=1S/C19H15F2N3O2/c20-14-8-9-16(15(21)11-14)23-19(25)24-18-17(7-4-10-22-18)26-12-13-5-2-1-3-6-13/h1-11H,12H2,(H2,22,23,24,25)
InChIKey
BJGCOTAIBUUGAQ-UHFFFAOYSA-N
Compound name
1-(2,4-difluorophenyl)-3-(3-phenylmethoxypyridin-2-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

355.11322 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.12050 180.7
[M+Na]+ 378.10244 187.5
[M-H]- 354.10594 186.5
[M+NH4]+ 373.14704 191.0
[M+K]+ 394.07638 181.6
[M+H-H2O]+ 338.11048 168.2
[M+HCOO]- 400.11142 202.8
[M+CH3COO]- 414.12707 217.3
[M+Na-2H]- 376.08789 185.1
[M]+ 355.11267 178.4
[M]- 355.11377 178.4
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.