CID 3022117

Brn 5999772

Structural Information

Molecular Formula
C15H11F2N3O3
SMILES
CCN1C=C(C(=O)C2=CC(=C(C(=C21)F)N3C=CN=C3)F)C(=O)O
InChI
InChI=1S/C15H11F2N3O3/c1-2-19-6-9(15(22)23)14(21)8-5-10(16)13(11(17)12(8)19)20-4-3-18-7-20/h3-7H,2H2,1H3,(H,22,23)
InChIKey
ZCZHOXAHCTXLSJ-UHFFFAOYSA-N
Compound name
1-ethyl-6,8-difluoro-7-imidazol-1-yl-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

319.07684 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.08412 172.1
[M+Na]+ 342.06606 185.2
[M+NH4]+ 337.11066 176.4
[M+K]+ 358.04000 181.5
[M-H]- 318.06956 170.5
[M+Na-2H]- 340.05151 176.4
[M]+ 319.07629 173.2
[M]- 319.07739 173.2
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