CID 486105

1-cyclopropyl-8-[ethyl(methyl)amino]-7-fluoro-9-methyl-4-oxo-quinolizine-3-carboxylic acid

Structural Information

Molecular Formula
C17H19FN2O3
SMILES
CCN(C)C1=C(C2=C(C=C(C(=O)N2C=C1F)C(=O)O)C3CC3)C
InChI
InChI=1S/C17H19FN2O3/c1-4-19(3)15-9(2)14-11(10-5-6-10)7-12(17(22)23)16(21)20(14)8-13(15)18/h7-8,10H,4-6H2,1-3H3,(H,22,23)
InChIKey
TXVWQHGPQDTWIC-UHFFFAOYSA-N
Compound name
1-cyclopropyl-8-[ethyl(methyl)amino]-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

318.13797 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.14525 171.9
[M+Na]+ 341.12719 183.1
[M-H]- 317.13069 178.3
[M+NH4]+ 336.17179 181.8
[M+K]+ 357.10113 177.7
[M+H-H2O]+ 301.13523 163.4
[M+HCOO]- 363.13617 191.3
[M+CH3COO]- 377.15182 217.1
[M+Na-2H]- 339.11264 172.6
[M]+ 318.13742 177.1
[M]- 318.13852 177.1
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.