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 176.4
[M+Na]+ 356.08688 186.8
[M-H]- 332.09038 179.3
[M+NH4]+ 351.13148 190.1
[M+K]+ 372.06082 181.3
[M+H-H2O]+ 316.09492 164.8
[M+HCOO]- 378.09586 193.2
[M+CH3COO]- 392.11151 210.8
[M+Na-2H]- 354.07233 181.2
[M]+ 333.09711 176.5
[M]- 333.09821 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.