CID 488620

1-cyclopropyl-7-fluoro-9-methyl-4-oxo-8-[3-(2-piperidyl)-1-piperidyl]-1,9a-dihydroquinolizine-3-carboxylic acid

Structural Information

Molecular Formula
C24H32FN3O3
SMILES
CC1=C(C(=CN2C1C(C=C(C2=O)C(=O)O)C3CC3)F)N4CCCC(C4)C5CCCCN5
InChI
InChI=1S/C24H32FN3O3/c1-14-21-17(15-7-8-15)11-18(24(30)31)23(29)28(21)13-19(25)22(14)27-10-4-5-16(12-27)20-6-2-3-9-26-20/h11,13,15-17,20-21,26H,2-10,12H2,1H3,(H,30,31)
InChIKey
HMWNHPRKLIUQFT-UHFFFAOYSA-N
Compound name
1-cyclopropyl-7-fluoro-9-methyl-4-oxo-8-(3-piperidin-2-ylpiperidin-1-yl)-1,9a-dihydroquinolizine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

429.24277 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.25005 210.9
[M+Na]+ 452.23199 214.8
[M-H]- 428.23549 214.4
[M+NH4]+ 447.27659 211.0
[M+K]+ 468.20593 206.5
[M+H-H2O]+ 412.24003 199.0
[M+HCOO]- 474.24097 213.7
[M+CH3COO]- 488.25662 214.2
[M+Na-2H]- 450.21744 203.6
[M]+ 429.24222 201.4
[M]- 429.24332 201.4
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.