CID 54728577

Chembl464629

Structural Information

Molecular Formula
C20H18FNO4
SMILES
CCOC(=O)C1=C(C2=C(C=CC(=C2)CC3=CC=C(C=C3)F)N(C1=O)C)O
InChI
InChI=1S/C20H18FNO4/c1-3-26-20(25)17-18(23)15-11-13(6-9-16(15)22(2)19(17)24)10-12-4-7-14(21)8-5-12/h4-9,11,23H,3,10H2,1-2H3
InChIKey
DTZGIBZIZKWQEA-UHFFFAOYSA-N
Compound name
ethyl 6-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

355.12198 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.12926 182.1
[M+Na]+ 378.11120 192.2
[M-H]- 354.11470 186.6
[M+NH4]+ 373.15580 194.4
[M+K]+ 394.08514 187.0
[M+H-H2O]+ 338.11924 172.2
[M+HCOO]- 400.12018 200.1
[M+CH3COO]- 414.13583 214.9
[M+Na-2H]- 376.09665 183.5
[M]+ 355.12143 185.5
[M]- 355.12253 185.5
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.