CID 488590

1-cyclopropyl-8-[3-(dimethylaminomethyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]-7-fluoro-9-methyl-4-oxo-quinolizine-3-carboxylic acid

Structural Information

Molecular Formula
C25H32FN3O3
SMILES
CC1=C(C(=CN2C1=C(C=C(C2=O)C(=O)O)C3CC3)F)N4CC(CC5C4CCC5)CN(C)C
InChI
InChI=1S/C25H32FN3O3/c1-14-22-18(16-7-8-16)10-19(25(31)32)24(30)29(22)13-20(26)23(14)28-12-15(11-27(2)3)9-17-5-4-6-21(17)28/h10,13,15-17,21H,4-9,11-12H2,1-3H3,(H,31,32)
InChIKey
SJYJQZVPNRUXQL-UHFFFAOYSA-N
Compound name
1-cyclopropyl-8-[3-[(dimethylamino)methyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

441.24277 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.25005 208.1
[M+Na]+ 464.23199 215.6
[M-H]- 440.23549 215.1
[M+NH4]+ 459.27659 213.7
[M+K]+ 480.20593 208.1
[M+H-H2O]+ 424.24003 198.6
[M+HCOO]- 486.24097 219.1
[M+CH3COO]- 500.25662 240.1
[M+Na-2H]- 462.21744 202.1
[M]+ 441.24222 208.6
[M]- 441.24332 208.6
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.