CID 479560

Cyclopropyl-dimethylamino-fluoro-oxo-4h-quinolizine-3-carboxylic acid

Structural Information

Molecular Formula
C15H15FN2O3
SMILES
CN(C)C1=CC2=C(C=C(C(=O)N2C=C1F)C(=O)O)C3CC3
InChI
InChI=1S/C15H15FN2O3/c1-17(2)13-6-12-9(8-3-4-8)5-10(15(20)21)14(19)18(12)7-11(13)16/h5-8H,3-4H2,1-2H3,(H,20,21)
InChIKey
CQJANZVHCKPIOP-UHFFFAOYSA-N
Compound name
1-cyclopropyl-8-(dimethylamino)-7-fluoro-4-oxoquinolizine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

290.10666 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.11394 163.4
[M+Na]+ 313.09588 174.7
[M-H]- 289.09938 169.8
[M+NH4]+ 308.14048 174.1
[M+K]+ 329.06982 169.7
[M+H-H2O]+ 273.10392 155.0
[M+HCOO]- 335.10486 183.6
[M+CH3COO]- 349.12051 210.2
[M+Na-2H]- 311.08133 165.8
[M]+ 290.10611 167.6
[M]- 290.10721 167.6
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.