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: 7
Patents: 319.07684 Da
Monoisotopic Mass: 1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	320.084116	168.6
[M+Na]+	342.066058	182.1
[M-H]-	318.069564	170.5
[M+NH4]+	337.110663	181.7
[M+K]+	358.039998	175.9
[M+H-H2O]+	302.074100	158.4
[M+HCOO]-	364.075041	186.8
[M+CH3COO]-	378.090691	206.1
[M+Na-2H]-	340.051506	170.2
[M]+	319.07629142	171.3
[M]-	319.07738858	171.3

Literature stripe

literature stripe

Patent stripe

patents stripe