CID 478690

Chembl288442

Structural Information

Molecular Formula
C21H14FN3O2
SMILES
C1=CC=C(C(=C1)N2C=C(C(=O)C3=C2C=C(C=C3)C4=CC=NC=C4)C(=O)N)F
InChI
InChI=1S/C21H14FN3O2/c22-17-3-1-2-4-18(17)25-12-16(21(23)27)20(26)15-6-5-14(11-19(15)25)13-7-9-24-10-8-13/h1-12H,(H2,23,27)
InChIKey
FWOOMTYRNGVBIH-UHFFFAOYSA-N
Compound name
1-(2-fluorophenyl)-4-oxo-7-pyridin-4-ylquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

359.107 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.11428 185.5
[M+Na]+ 382.09622 195.3
[M-H]- 358.09972 192.4
[M+NH4]+ 377.14082 195.3
[M+K]+ 398.07016 187.8
[M+H-H2O]+ 342.10426 173.2
[M+HCOO]- 404.10520 204.4
[M+CH3COO]- 418.12085 195.3
[M+Na-2H]- 380.08167 189.4
[M]+ 359.10645 184.0
[M]- 359.10755 184.0
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