CID 479558

8-(2-amino-ethylamino)-1-cyclopropyl-7-fluoro-4-oxo-4h-quinolizine-3-carboxylic acid

Structural Information

Molecular Formula
C15H16FN3O3
SMILES
C1CC1C2=C3C=C(C(=CN3C(=O)C(=C2)C(=O)O)F)NCCN
InChI
InChI=1S/C15H16FN3O3/c16-11-7-19-13(6-12(11)18-4-3-17)9(8-1-2-8)5-10(14(19)20)15(21)22/h5-8,18H,1-4,17H2,(H,21,22)
InChIKey
RLPLOJBRYYPRAZ-UHFFFAOYSA-N
Compound name
8-(2-aminoethylamino)-1-cyclopropyl-7-fluoro-4-oxoquinolizine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

305.11758 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.12486 165.3
[M+Na]+ 328.10680 175.7
[M-H]- 304.11030 169.8
[M+NH4]+ 323.15140 174.3
[M+K]+ 344.08074 169.0
[M+H-H2O]+ 288.11484 157.1
[M+HCOO]- 350.11578 185.5
[M+CH3COO]- 364.13143 211.7
[M+Na-2H]- 326.09225 168.2
[M]+ 305.11703 166.9
[M]- 305.11813 166.9
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.