CID 479550

8-(4-amino-1-piperidyl)-1-cyclopropyl-7-fluoro-4-oxo-quinolizine-3-carboxylic acid

Structural Information

Molecular Formula
C18H20FN3O3
SMILES
C1CC1C2=C3C=C(C(=CN3C(=O)C(=C2)C(=O)O)F)N4CCC(CC4)N
InChI
InChI=1S/C18H20FN3O3/c19-14-9-22-15(8-16(14)21-5-3-11(20)4-6-21)12(10-1-2-10)7-13(17(22)23)18(24)25/h7-11H,1-6,20H2,(H,24,25)
InChIKey
UHQQHTJPNAUNCS-UHFFFAOYSA-N
Compound name
8-(4-aminopiperidin-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

345.14886 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.15614 181.9
[M+Na]+ 368.13808 191.0
[M-H]- 344.14158 187.2
[M+NH4]+ 363.18268 187.8
[M+K]+ 384.11202 183.7
[M+H-H2O]+ 328.14612 172.1
[M+HCOO]- 390.14706 195.9
[M+CH3COO]- 404.16271 190.3
[M+Na-2H]- 366.12353 181.3
[M]+ 345.14831 179.4
[M]- 345.14941 179.4
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

No patent data available for this compound.