CID 54728579

6-(4-fluorobenzyl)-4-hydroxy-1-methyl-2-oxo-1,2-dihydroquinoline-3-carboxylic acid

Structural Information

Molecular Formula
C18H14FNO4
SMILES
CN1C2=C(C=C(C=C2)CC3=CC=C(C=C3)F)C(=C(C1=O)C(=O)O)O
InChI
InChI=1S/C18H14FNO4/c1-20-14-7-4-11(8-10-2-5-12(19)6-3-10)9-13(14)16(21)15(17(20)22)18(23)24/h2-7,9,21H,8H2,1H3,(H,23,24)
InChIKey
YPNHXGADKUJXJG-UHFFFAOYSA-N
Compound name
6-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

327.0907 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.09798 172.9
[M+Na]+ 350.07992 183.5
[M-H]- 326.08342 176.4
[M+NH4]+ 345.12452 185.6
[M+K]+ 366.05386 177.8
[M+H-H2O]+ 310.08796 163.8
[M+HCOO]- 372.08890 190.1
[M+CH3COO]- 386.10455 207.4
[M+Na-2H]- 348.06537 175.0
[M]+ 327.09015 173.9
[M]- 327.09125 173.9
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.