CID 488631

8-(2-amino-6-azaspiro[3.3]heptan-6-yl)-1-cyclopropyl-7-fluoro-9-methyl-4-oxo-1,9a-dihydroquinolizine-3-carboxylic acid

Structural Information

Molecular Formula
C20H24FN3O3
SMILES
CC1=C(C(=CN2C1C(C=C(C2=O)C(=O)O)C3CC3)F)N4CC5(C4)CC(C5)N
InChI
InChI=1S/C20H24FN3O3/c1-10-16-13(11-2-3-11)4-14(19(26)27)18(25)24(16)7-15(21)17(10)23-8-20(9-23)5-12(22)6-20/h4,7,11-13,16H,2-3,5-6,8-9,22H2,1H3,(H,26,27)
InChIKey
FQDKNZQDIAGMCU-UHFFFAOYSA-N
Compound name
8-(6-amino-2-azaspiro[3.3]heptan-2-yl)-1-cyclopropyl-7-fluoro-9-methyl-4-oxo-1,9a-dihydroquinolizine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.18018 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.18746 189.2
[M+Na]+ 396.16940 194.7
[M-H]- 372.17290 194.9
[M+NH4]+ 391.21400 184.7
[M+K]+ 412.14334 195.1
[M+H-H2O]+ 356.17744 171.6
[M+HCOO]- 418.17838 197.6
[M+CH3COO]- 432.19403 230.7
[M+Na-2H]- 394.15485 185.6
[M]+ 373.17963 202.3
[M]- 373.18073 202.3
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.