CID 479627

8-[(1r,5s)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclopropyl-7-fluoro-9-methyl-4-oxo-quinolizine-3-carboxylic acid

Structural Information

Molecular Formula
C19H20FN3O3
SMILES
CC1=C(C(=CN2C1=C(C=C(C2=O)C(=O)O)C3CC3)F)N4C[C@@H]5[C@H](C4)C5N
InChI
InChI=1S/C19H20FN3O3/c1-8-16-10(9-2-3-9)4-11(19(25)26)18(24)23(16)7-14(20)17(8)22-5-12-13(6-22)15(12)21/h4,7,9,12-13,15H,2-3,5-6,21H2,1H3,(H,25,26)/t12-,13+,15?
InChIKey
XUZDDRQKYFTJTG-NNQSOWQGSA-N
Compound name
8-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

357.14886 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.15614 188.8
[M+Na]+ 380.13808 198.9
[M-H]- 356.14158 194.8
[M+NH4]+ 375.18268 191.8
[M+K]+ 396.11202 190.5
[M+H-H2O]+ 340.14612 182.6
[M+HCOO]- 402.14706 201.4
[M+CH3COO]- 416.16271 195.9
[M+Na-2H]- 378.12353 184.9
[M]+ 357.14831 192.0
[M]- 357.14941 192.0
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.