CID 5020377

877459-38-6

Structural Information

Molecular Formula

C₂₀H₁₆F₃N₃O₂

SMILES

C1=CC=C(C=C1)COC2=C(N=CC=C2)NC(=O)NC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C20H16F3N3O2/c21-20(22,23)15-8-4-9-16(12-15)25-19(27)26-18-17(10-5-11-24-18)28-13-14-6-2-1-3-7-14/h1-12H,13H2,(H2,24,25,26,27)

InChIKey

ZGRJWEGBJGKHAP-UHFFFAOYSA-N

Compound name

1-(3-phenylmethoxy-2-pyridinyl)-3-[3-(trifluoromethyl)phenyl]urea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 387.11948 Da
Monoisotopic Mass: 4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	388.126756	188.0
[M+Na]+	410.108698	193.9
[M-H]-	386.112204	192.2
[M+NH4]+	405.153303	196.7
[M+K]+	426.082638	187.9
[M+H-H2O]+	370.116740	174.7
[M+HCOO]-	432.117681	207.0
[M+CH3COO]-	446.133331	221.4
[M+Na-2H]-	408.094146	192.9
[M]+	387.11893142	183.9
[M]-	387.12002858	183.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.