CID 486103

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

Structural Information

Molecular Formula
C18H21FN2O3
SMILES
CCN(CC)C1=C(C2=C(C=C(C(=O)N2C=C1F)C(=O)O)C3CC3)C
InChI
InChI=1S/C18H21FN2O3/c1-4-20(5-2)16-10(3)15-12(11-6-7-11)8-13(18(23)24)17(22)21(15)9-14(16)19/h8-9,11H,4-7H2,1-3H3,(H,23,24)
InChIKey
NYRWJLIFEOHFBG-UHFFFAOYSA-N
Compound name
1-cyclopropyl-8-(diethylamino)-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

332.15363 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.16091 176.2
[M+Na]+ 355.14285 187.0
[M-H]- 331.14635 182.4
[M+NH4]+ 350.18745 185.5
[M+K]+ 371.11679 181.3
[M+H-H2O]+ 315.15089 167.5
[M+HCOO]- 377.15183 195.3
[M+CH3COO]- 391.16748 219.9
[M+Na-2H]- 353.12830 176.4
[M]+ 332.15308 181.7
[M]- 332.15418 181.7
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.