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]+ 358.15614 187.9
[M+Na]+ 380.13808 196.9
[M-H]- 356.14158 194.7
[M+NH4]+ 375.18268 191.5
[M+K]+ 396.11202 190.7
[M+H-H2O]+ 340.14612 182.0
[M+HCOO]- 402.14706 200.5
[M+CH3COO]- 416.16271 194.8
[M+Na-2H]- 378.12353 185.3
[M]+ 357.14831 189.3
[M]- 357.14941 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.