CID 9884094

1-(2,4-difluorophenyl)-7-(4-pyridyl)quinolin-4-one

Structural Information

Molecular Formula
C20H12F2N2O
SMILES
C1=CC2=C(C=C1C3=CC=NC=C3)N(C=CC2=O)C4=C(C=C(C=C4)F)F
InChI
InChI=1S/C20H12F2N2O/c21-15-2-4-18(17(22)12-15)24-10-7-20(25)16-3-1-14(11-19(16)24)13-5-8-23-9-6-13/h1-12H
InChIKey
JMSOKDUZXIVWMQ-UHFFFAOYSA-N
Compound name
1-(2,4-difluorophenyl)-7-pyridin-4-ylquinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

334.09177 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.09905 178.4
[M+Na]+ 357.08099 189.9
[M-H]- 333.08449 184.4
[M+NH4]+ 352.12559 190.1
[M+K]+ 373.05493 181.6
[M+H-H2O]+ 317.08903 165.2
[M+HCOO]- 379.08997 196.8
[M+CH3COO]- 393.10562 189.0
[M+Na-2H]- 355.06644 183.4
[M]+ 334.09122 176.9
[M]- 334.09232 176.9
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

patents stripe