CID 488615

8-(8-amino-6-azaspiro[3.4]octan-6-yl)-1-cyclopropyl-7-fluoro-9-methyl-4-oxo-1,9a-dihydroquinolizine-3-carboxylic acid

Structural Information

Molecular Formula
C21H26FN3O3
SMILES
CC1=C(C(=CN2C1C(C=C(C2=O)C(=O)O)C3CC3)F)N4CC(C5(C4)CCC5)N
InChI
InChI=1S/C21H26FN3O3/c1-11-17-13(12-3-4-12)7-14(20(27)28)19(26)25(17)8-15(22)18(11)24-9-16(23)21(10-24)5-2-6-21/h7-8,12-13,16-17H,2-6,9-10,23H2,1H3,(H,27,28)
InChIKey
DGKNZFMTBUGYAQ-UHFFFAOYSA-N
Compound name
8-(8-amino-6-azaspiro[3.4]octan-6-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

387.19583 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.20311 193.0
[M+Na]+ 410.18505 199.7
[M-H]- 386.18855 199.6
[M+NH4]+ 405.22965 195.3
[M+K]+ 426.15899 196.1
[M+H-H2O]+ 370.19309 180.4
[M+HCOO]- 432.19403 202.7
[M+CH3COO]- 446.20968 226.5
[M+Na-2H]- 408.17050 187.8
[M]+ 387.19528 197.9
[M]- 387.19638 197.9
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.