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]+ 334.104936 176.4
[M+Na]+ 356.086878 186.8
[M-H]- 332.090384 179.3
[M+NH4]+ 351.131483 190.1
[M+K]+ 372.060818 181.3
[M+H-H2O]+ 316.094920 164.8
[M+HCOO]- 378.095861 193.2
[M+CH3COO]- 392.111511 210.8
[M+Na-2H]- 354.072326 181.2
[M]+ 333.09711142 176.5
[M]- 333.09820858 176.5
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.