CID 492951

Schembl10475575

Structural Information

Molecular Formula
C17H14FN3O2
SMILES
CCN1C=C(C(=O)C2=CC(=C(C=C21)C3=CC=NC=C3)F)C(=O)N
InChI
InChI=1S/C17H14FN3O2/c1-2-21-9-13(17(19)23)16(22)12-7-14(18)11(8-15(12)21)10-3-5-20-6-4-10/h3-9H,2H2,1H3,(H2,19,23)
InChIKey
MIZVNZHGURMXEK-UHFFFAOYSA-N
Compound name
1-ethyl-6-fluoro-4-oxo-7-pyridin-4-ylquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

311.107 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.11428 171.9
[M+Na]+ 334.09622 182.5
[M-H]- 310.09972 176.0
[M+NH4]+ 329.14082 184.6
[M+K]+ 350.07016 176.4
[M+H-H2O]+ 294.10426 161.5
[M+HCOO]- 356.10520 191.3
[M+CH3COO]- 370.12085 210.6
[M+Na-2H]- 332.08167 175.5
[M]+ 311.10645 171.8
[M]- 311.10755 171.8
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