CID 1090309

Chembl1481742

Structural Information

Molecular Formula

C₁₇H₁₃F₃N₂O

SMILES

C1=CC(=CC(=C1)NCC2=C3C=CC=NC3=C(C=C2)O)C(F)(F)F

InChI

InChI=1S/C17H13F3N2O/c18-17(19,20)12-3-1-4-13(9-12)22-10-11-6-7-15(23)16-14(11)5-2-8-21-16/h1-9,22-23H,10H2

InChIKey

HWNPIGIJVNLLIF-UHFFFAOYSA-N

Compound name

5-[[3-(trifluoromethyl)anilino]methyl]quinolin-8-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 0
Patents: 318.098 Da
Monoisotopic Mass: 4.4
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]+	319.105276	170.9
[M+Na]+	341.087218	179.7
[M-H]-	317.090724	172.2
[M+NH4]+	336.131823	184.0
[M+K]+	357.061158	172.8
[M+H-H2O]+	301.095260	159.8
[M+HCOO]-	363.096201	187.5
[M+CH3COO]-	377.111851	207.1
[M+Na-2H]-	339.072666	177.2
[M]+	318.09745142	166.5
[M]-	318.09854858	166.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.