CID 506844

1-cyclopropyl-8-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-7-fluoro-9-methyl-4-oxo-quinolizine-3-carboxylic acid

Structural Information

Molecular Formula
C21H23FN2O5
SMILES
CC1=C(C(=CN2C1=C(C=C(C2=O)C(=O)O)C3CC3)F)N4CCCC5(C4)OCCO5
InChI
InChI=1S/C21H23FN2O5/c1-12-17-14(13-3-4-13)9-15(20(26)27)19(25)24(17)10-16(22)18(12)23-6-2-5-21(11-23)28-7-8-29-21/h9-10,13H,2-8,11H2,1H3,(H,26,27)
InChIKey
AMBNKTKDTBEBMT-UHFFFAOYSA-N
Compound name
1-cyclopropyl-8-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.1591 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.16638 195.3
[M+Na]+ 425.14832 204.6
[M-H]- 401.15182 204.2
[M+NH4]+ 420.19292 200.4
[M+K]+ 441.12226 201.4
[M+H-H2O]+ 385.15636 186.2
[M+HCOO]- 447.15730 204.5
[M+CH3COO]- 461.17295 203.6
[M+Na-2H]- 423.13377 193.6
[M]+ 402.15855 196.1
[M]- 402.15965 196.1
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.