CID 479548

8-(3-aminomethyl-azetidin-1-yl)-1-cyclopropyl-7-fluoro-4-oxo-4h-quinolizine-3-carboxylic acid

Structural Information

Molecular Formula

C₁₇H₁₈FN₃O₃

SMILES

C1CC1C2=C3C=C(C(=CN3C(=O)C(=C2)C(=O)O)F)N4CC(C4)CN

InChI

InChI=1S/C17H18FN3O3/c18-13-8-21-14(4-15(13)20-6-9(5-19)7-20)11(10-1-2-10)3-12(16(21)22)17(23)24/h3-4,8-10H,1-2,5-7,19H2,(H,23,24)

InChIKey

AEEOPMQFKULISQ-UHFFFAOYSA-N

Compound name

8-[3-(aminomethyl)azetidin-1-yl]-1-cyclopropyl-7-fluoro-4-oxoquinolizine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 331.1332 Da
Monoisotopic Mass: -1.5
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]+	332.140476	179.4
[M+Na]+	354.122418	188.3
[M-H]-	330.125924	184.7
[M+NH4]+	349.167023	180.1
[M+K]+	370.096358	184.6
[M+H-H2O]+	314.130460	164.5
[M+HCOO]-	376.131401	194.5
[M+CH3COO]-	390.147051	216.9
[M+Na-2H]-	352.107866	178.7
[M]+	331.13265142	188.1
[M]-	331.13374858	188.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.