CID 486111

Schembl8601235

Structural Information

Molecular Formula
C19H22FN3O3
SMILES
CC1=C(C(=CN2C1=C(C=C(C2=O)C(=O)O)C3CC3)F)N4CCC(CC4)N
InChI
InChI=1S/C19H22FN3O3/c1-10-16-13(11-2-3-11)8-14(19(25)26)18(24)23(16)9-15(20)17(10)22-6-4-12(21)5-7-22/h8-9,11-12H,2-7,21H2,1H3,(H,25,26)
InChIKey
RAEUKKMONZKTSX-UHFFFAOYSA-N
Compound name
8-(4-aminopiperidin-1-yl)-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

359.16452 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.17180 186.8
[M+Na]+ 382.15374 196.2
[M-H]- 358.15724 192.1
[M+NH4]+ 377.19834 192.3
[M+K]+ 398.12768 188.7
[M+H-H2O]+ 342.16178 177.0
[M+HCOO]- 404.16272 200.3
[M+CH3COO]- 418.17837 220.6
[M+Na-2H]- 380.13919 184.9
[M]+ 359.16397 184.9
[M]- 359.16507 184.9
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

patents stripe