CID 488531

4h-quinolizine-3-carboxylic acid, 8-[(7s)-7-amino-5-azaspiro[2.4]hept-5-yl]-1-cyclopropyl-7-fluoro-4-oxo-

Structural Information

Molecular Formula
C19H20FN3O3
SMILES
C1CC1C2=C3C=C(C(=CN3C(=O)C(=C2)C(=O)O)F)N4C[C@H](C5(C4)CC5)N
InChI
InChI=1S/C19H20FN3O3/c20-13-7-23-14(6-15(13)22-8-16(21)19(9-22)3-4-19)11(10-1-2-10)5-12(17(23)24)18(25)26/h5-7,10,16H,1-4,8-9,21H2,(H,25,26)/t16-/m1/s1
InChIKey
JICQHRZVHSSUMJ-MRXNPFEDSA-N
Compound name
8-[(7S)-7-amino-5-azaspiro[2.4]heptan-5-yl]-1-cyclopropyl-7-fluoro-4-oxoquinolizine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.14886 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.156136 187.9
[M+Na]+ 380.138078 196.9
[M-H]- 356.141584 194.7
[M+NH4]+ 375.182683 191.5
[M+K]+ 396.112018 190.7
[M+H-H2O]+ 340.146120 182.0
[M+HCOO]- 402.147061 200.5
[M+CH3COO]- 416.162711 194.8
[M+Na-2H]- 378.123526 185.3
[M]+ 357.14831142 189.3
[M]- 357.14940858 189.3
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.