CID 479559

[(2-amino-ethyl)-methyl-amino]-cyclopropyl-fluoro-oxo-4h-quinolizine-3-carboxylic acid

Structural Information

Molecular Formula
C16H18FN3O3
SMILES
CN(CCN)C1=CC2=C(C=C(C(=O)N2C=C1F)C(=O)O)C3CC3
InChI
InChI=1S/C16H18FN3O3/c1-19(5-4-18)14-7-13-10(9-2-3-9)6-11(16(22)23)15(21)20(13)8-12(14)17/h6-9H,2-5,18H2,1H3,(H,22,23)
InChIKey
DQEFLDHSVHBHSE-UHFFFAOYSA-N
Compound name
8-[2-aminoethyl(methyl)amino]-1-cyclopropyl-7-fluoro-4-oxoquinolizine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

319.1332 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.14048 170.5
[M+Na]+ 342.12242 180.5
[M-H]- 318.12592 176.2
[M+NH4]+ 337.16702 179.5
[M+K]+ 358.09636 174.9
[M+H-H2O]+ 302.13046 161.9
[M+HCOO]- 364.13140 190.8
[M+CH3COO]- 378.14705 217.6
[M+Na-2H]- 340.10787 172.1
[M]+ 319.13265 173.5
[M]- 319.13375 173.5
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.