CID 492954

6-fluoro-1-(4-fluorophenyl)-4-oxo-7-(4-pyridyl)quinoline-3-carboxamide

Structural Information

Molecular Formula
C21H13F2N3O2
SMILES
C1=CC(=CC=C1N2C=C(C(=O)C3=CC(=C(C=C32)C4=CC=NC=C4)F)C(=O)N)F
InChI
InChI=1S/C21H13F2N3O2/c22-13-1-3-14(4-2-13)26-11-17(21(24)28)20(27)16-9-18(23)15(10-19(16)26)12-5-7-25-8-6-12/h1-11H,(H2,24,28)
InChIKey
LBIXKWMGCYCQRJ-UHFFFAOYSA-N
Compound name
6-fluoro-1-(4-fluorophenyl)-4-oxo-7-pyridin-4-ylquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.0976 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.10488 189.6
[M+Na]+ 400.08682 200.4
[M-H]- 376.09032 195.5
[M+NH4]+ 395.13142 198.9
[M+K]+ 416.06076 192.4
[M+H-H2O]+ 360.09486 176.4
[M+HCOO]- 422.09580 207.4
[M+CH3COO]- 436.11145 199.1
[M+Na-2H]- 398.07227 192.0
[M]+ 377.09705 187.5
[M]- 377.09815 187.5
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.