CID 488557

1-cyclopropyl-8-(1,4-diazepan-1-yl)-7-fluoro-9-methyl-4-oxo-quinolizine-3-carboxylic acid

Structural Information

Molecular Formula
C19H22FN3O3
SMILES
CC1=C(C(=CN2C1=C(C=C(C2=O)C(=O)O)C3CC3)F)N4CCCNCC4
InChI
InChI=1S/C19H22FN3O3/c1-11-16-13(12-3-4-12)9-14(19(25)26)18(24)23(16)10-15(20)17(11)22-7-2-5-21-6-8-22/h9-10,12,21H,2-8H2,1H3,(H,25,26)
InChIKey
LUEMMIDEVWKXNM-UHFFFAOYSA-N
Compound name
1-cyclopropyl-8-(1,4-diazepan-1-yl)-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

359.16452 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.17180 183.5
[M+Na]+ 382.15374 191.2
[M-H]- 358.15724 187.7
[M+NH4]+ 377.19834 187.2
[M+K]+ 398.12768 188.5
[M+H-H2O]+ 342.16178 173.3
[M+HCOO]- 404.16272 194.1
[M+CH3COO]- 418.17837 190.7
[M+Na-2H]- 380.13919 182.3
[M]+ 359.16397 178.8
[M]- 359.16507 178.8
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

No patent data available for this compound.