CID 478685

4-oxo-7-(4-pyridyl)-1-[4-(trifluoromethyl)phenyl]quinoline-3-carboxamide

Structural Information

Molecular Formula
C22H14F3N3O2
SMILES
C1=CC(=CC=C1C(F)(F)F)N2C=C(C(=O)C3=C2C=C(C=C3)C4=CC=NC=C4)C(=O)N
InChI
InChI=1S/C22H14F3N3O2/c23-22(24,25)15-2-4-16(5-3-15)28-12-18(21(26)30)20(29)17-6-1-14(11-19(17)28)13-7-9-27-10-8-13/h1-12H,(H2,26,30)
InChIKey
PMHXZNGRYVAULK-UHFFFAOYSA-N
Compound name
4-oxo-7-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]quinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

409.10382 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.11110 197.6
[M+Na]+ 432.09304 207.5
[M-H]- 408.09654 201.8
[M+NH4]+ 427.13764 205.4
[M+K]+ 448.06698 199.4
[M+H-H2O]+ 392.10108 183.7
[M+HCOO]- 454.10202 212.3
[M+CH3COO]- 468.11767 205.8
[M+Na-2H]- 430.07849 200.5
[M]+ 409.10327 193.8
[M]- 409.10437 193.8
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

patents stripe