CID 13478275

93242-60-5

Structural Information

Molecular Formula
C16H13F2N3O3
SMILES
CCN1C=C(C(=O)C2=CC(=C(C(=C21)F)N3C=C(N=C3)C)F)C(=O)O
InChI
InChI=1S/C16H13F2N3O3/c1-3-20-6-10(16(23)24)15(22)9-4-11(17)14(12(18)13(9)20)21-5-8(2)19-7-21/h4-7H,3H2,1-2H3,(H,23,24)
InChIKey
FHRGQBHBRAUGIO-UHFFFAOYSA-N
Compound name
1-ethyl-6,8-difluoro-7-(4-methylimidazol-1-yl)-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

333.0925 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.09978 173.5
[M+Na]+ 356.08172 187.3
[M-H]- 332.08522 175.6
[M+NH4]+ 351.12632 186.3
[M+K]+ 372.05566 181.0
[M+H-H2O]+ 316.08976 163.3
[M+HCOO]- 378.09070 191.2
[M+CH3COO]- 392.10635 210.4
[M+Na-2H]- 354.06717 173.8
[M]+ 333.09195 176.9
[M]- 333.09305 176.9
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

patents stripe