CID 488565

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

Structural Information

Molecular Formula
C21H25FN2O5
SMILES
CC1=C(C(=CN2C1=C(C=C(C2=O)C(=O)O)C3CC3)F)N4CCC(CC4)OCOC
InChI
InChI=1S/C21H25FN2O5/c1-12-18-15(13-3-4-13)9-16(21(26)27)20(25)24(18)10-17(22)19(12)23-7-5-14(6-8-23)29-11-28-2/h9-10,13-14H,3-8,11H2,1-2H3,(H,26,27)
InChIKey
DNKZBYVSRCLPNK-UHFFFAOYSA-N
Compound name
1-cyclopropyl-7-fluoro-8-[4-(methoxymethoxy)piperidin-1-yl]-9-methyl-4-oxoquinolizine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.17474 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.18202 198.7
[M+Na]+ 427.16396 207.4
[M-H]- 403.16746 204.0
[M+NH4]+ 422.20856 202.6
[M+K]+ 443.13790 201.2
[M+H-H2O]+ 387.17200 188.1
[M+HCOO]- 449.17294 211.1
[M+CH3COO]- 463.18859 225.9
[M+Na-2H]- 425.14941 196.1
[M]+ 404.17419 201.5
[M]- 404.17529 201.5
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.