CID 488545

1-cyclopropyl-8-(4,5-dihydroimidazol-1-yl)-7-fluoro-9-methyl-4-oxo-quinolizine-3-carboxylic acid

Structural Information

Molecular Formula
C17H16FN3O3
SMILES
CC1=C(C(=CN2C1=C(C=C(C2=O)C(=O)O)C3CC3)F)N4CCN=C4
InChI
InChI=1S/C17H16FN3O3/c1-9-14-11(10-2-3-10)6-12(17(23)24)16(22)21(14)7-13(18)15(9)20-5-4-19-8-20/h6-8,10H,2-5H2,1H3,(H,23,24)
InChIKey
XHUBHKYDYDMACK-UHFFFAOYSA-N
Compound name
1-cyclopropyl-8-(4,5-dihydroimidazol-1-yl)-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.11758 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.12486 180.3
[M+Na]+ 352.10680 192.3
[M-H]- 328.11030 185.7
[M+NH4]+ 347.15140 187.9
[M+K]+ 368.08074 184.5
[M+H-H2O]+ 312.11484 170.8
[M+HCOO]- 374.11578 196.2
[M+CH3COO]- 388.13143 190.1
[M+Na-2H]- 350.09225 179.1
[M]+ 329.11703 182.6
[M]- 329.11813 182.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.