CID 486106

8-(2-aminoethylamino)-1-cyclopropyl-7-fluoro-9-methyl-4-oxo-quinolizine-3-carboxylic acid

Structural Information

Molecular Formula
C16H18FN3O3
SMILES
CC1=C(C(=CN2C1=C(C=C(C2=O)C(=O)O)C3CC3)F)NCCN
InChI
InChI=1S/C16H18FN3O3/c1-8-13(19-5-4-18)12(17)7-20-14(8)10(9-2-3-9)6-11(15(20)21)16(22)23/h6-7,9,19H,2-5,18H2,1H3,(H,22,23)
InChIKey
IHEGRMWMHRVFTC-UHFFFAOYSA-N
Compound name
8-(2-aminoethylamino)-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

319.1332 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.14048 170.2
[M+Na]+ 342.12242 181.0
[M-H]- 318.12592 174.9
[M+NH4]+ 337.16702 178.9
[M+K]+ 358.09636 174.0
[M+H-H2O]+ 302.13046 162.0
[M+HCOO]- 364.13140 189.9
[M+CH3COO]- 378.14705 215.8
[M+Na-2H]- 340.10787 171.8
[M]+ 319.13265 172.5
[M]- 319.13375 172.5
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.