CID 15956637

Chembl383453

Structural Information

Molecular Formula
C15H16FNO5
SMILES
CCOC(=O)C1=CN(C2=C(C1=O)C=CC(=C2)F)COCCO
InChI
InChI=1S/C15H16FNO5/c1-2-22-15(20)12-8-17(9-21-6-5-18)13-7-10(16)3-4-11(13)14(12)19/h3-4,7-8,18H,2,5-6,9H2,1H3
InChIKey
WPCJWNJKVDVWLJ-UHFFFAOYSA-N
Compound name
ethyl 7-fluoro-1-(2-hydroxyethoxymethyl)-4-oxoquinoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

309.10126 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.10854 166.4
[M+Na]+ 332.09048 175.6
[M-H]- 308.09398 167.3
[M+NH4]+ 327.13508 180.6
[M+K]+ 348.06442 172.4
[M+H-H2O]+ 292.09852 157.9
[M+HCOO]- 354.09946 185.2
[M+CH3COO]- 368.11511 203.5
[M+Na-2H]- 330.07593 169.7
[M]+ 309.10071 171.4
[M]- 309.10181 171.4
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

No patent data available for this compound.