CID 479581

(+/-)-8-((s)-6-amino-2-aza-spiro[4.4]non-2-yl)-1-cyclopropyl-7-fluoro-9-methyl-4-oxo-4h-quinolizine-3-carboxylic acid

Structural Information

Molecular Formula
C22H26FN3O3
SMILES
CC1=C(C(=CN2C1=C(C=C(C2=O)C(=O)O)C3CC3)F)N4CCC5(C4)CCC[C@@H]5N
InChI
InChI=1S/C22H26FN3O3/c1-12-18-14(13-4-5-13)9-15(21(28)29)20(27)26(18)10-16(23)19(12)25-8-7-22(11-25)6-2-3-17(22)24/h9-10,13,17H,2-8,11,24H2,1H3,(H,28,29)/t17-,22?/m0/s1
InChIKey
ZBNSKAZSACITID-LBOXEOMUSA-N
Compound name
8-[(9S)-9-amino-2-azaspiro[4.4]nonan-2-yl]-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

399.19583 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.20311 191.9
[M+Na]+ 422.18505 201.4
[M-H]- 398.18855 199.9
[M+NH4]+ 417.22965 201.6
[M+K]+ 438.15899 193.9
[M+H-H2O]+ 382.19309 184.9
[M+HCOO]- 444.19403 205.3
[M+CH3COO]- 458.20968 200.5
[M+Na-2H]- 420.17050 186.9
[M]+ 399.19528 190.4
[M]- 399.19638 190.4
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.