CID 488580

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

Structural Information

Molecular Formula
C22H27FN2O5
SMILES
CC1=C(C(=CN2C1=C(C=C(C2=O)C(=O)O)C3CC3)F)N4CCCC(C4)COCOC
InChI
InChI=1S/C22H27FN2O5/c1-13-19-16(15-5-6-15)8-17(22(27)28)21(26)25(19)10-18(23)20(13)24-7-3-4-14(9-24)11-30-12-29-2/h8,10,14-15H,3-7,9,11-12H2,1-2H3,(H,27,28)
InChIKey
DYMXCQBYPSAIJT-UHFFFAOYSA-N
Compound name
1-cyclopropyl-7-fluoro-8-[3-(methoxymethoxymethyl)piperidin-1-yl]-9-methyl-4-oxoquinolizine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.1904 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.19768 202.7
[M+Na]+ 441.17962 211.0
[M-H]- 417.18312 207.8
[M+NH4]+ 436.22422 206.1
[M+K]+ 457.15356 204.6
[M+H-H2O]+ 401.18766 192.0
[M+HCOO]- 463.18860 214.8
[M+CH3COO]- 477.20425 228.7
[M+Na-2H]- 439.16507 199.7
[M]+ 418.18985 205.9
[M]- 418.19095 205.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.