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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.10528 170.9
[M+Na]+ 341.08722 179.7
[M-H]- 317.09072 172.2
[M+NH4]+ 336.13182 184.0
[M+K]+ 357.06116 172.8
[M+H-H2O]+ 301.09526 159.8
[M+HCOO]- 363.09620 187.5
[M+CH3COO]- 377.11185 207.1
[M+Na-2H]- 339.07267 177.2
[M]+ 318.09745 166.5
[M]- 318.09855 166.5
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.