CID 14617614

5,7-dimethoxy-2-phenyl-4-(trifluoromethyl)quinoline

Structural Information

Molecular Formula
C18H14F3NO2
SMILES
COC1=CC2=C(C(=CC(=N2)C3=CC=CC=C3)C(F)(F)F)C(=C1)OC
InChI
InChI=1S/C18H14F3NO2/c1-23-12-8-15-17(16(9-12)24-2)13(18(19,20)21)10-14(22-15)11-6-4-3-5-7-11/h3-10H,1-2H3
InChIKey
SLNOJJPFIQWTGZ-UHFFFAOYSA-N
Compound name
5,7-dimethoxy-2-phenyl-4-(trifluoromethyl)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.09766 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.10494 177.8
[M+Na]+ 356.08688 190.5
[M+NH4]+ 351.13148 183.6
[M+K]+ 372.06082 183.1
[M-H]- 332.09038 177.6
[M+Na-2H]- 354.07233 184.1
[M]+ 333.09711 179.5
[M]- 333.09821 179.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.