CID 479783

(+/-)-8-(1-amino-3-aza-bicyclo[3.2.0]hept-3-yl)-1-cyclopropyl-7-fluoro-9-methyl-4-oxo-4h-quinolizine-3-carboxylic acid

Structural Information

Molecular Formula
C20H22FN3O3
SMILES
CC1=C(C(=CN2C1=C(C=C(C2=O)C(=O)O)C3CC3)F)N4CC5CCC5(C4)N
InChI
InChI=1S/C20H22FN3O3/c1-10-16-13(11-2-3-11)6-14(19(26)27)18(25)24(16)8-15(21)17(10)23-7-12-4-5-20(12,22)9-23/h6,8,11-12H,2-5,7,9,22H2,1H3,(H,26,27)
InChIKey
GOJWKOGFJMNUDU-UHFFFAOYSA-N
Compound name
8-(1-amino-3-azabicyclo[3.2.0]heptan-3-yl)-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

371.16452 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.17180 190.0
[M+Na]+ 394.15374 199.2
[M-H]- 370.15724 196.3
[M+NH4]+ 389.19834 193.7
[M+K]+ 410.12768 195.1
[M+H-H2O]+ 354.16178 177.5
[M+HCOO]- 416.16272 202.4
[M+CH3COO]- 430.17837 198.1
[M+Na-2H]- 392.13919 187.6
[M]+ 371.16397 198.8
[M]- 371.16507 198.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.