CID 479556

(+/-)-1-cyclopropyl-7-fluoro-8-(2-methylaminomethyl-morpholin-4-yl)-4-oxo-4h-quinolizine-3-carboxylic acid

Structural Information

Molecular Formula
C19H22FN3O4
SMILES
CNCC1CN(CCO1)C2=CC3=C(C=C(C(=O)N3C=C2F)C(=O)O)C4CC4
InChI
InChI=1S/C19H22FN3O4/c1-21-8-12-9-22(4-5-27-12)17-7-16-13(11-2-3-11)6-14(19(25)26)18(24)23(16)10-15(17)20/h6-7,10-12,21H,2-5,8-9H2,1H3,(H,25,26)
InChIKey
CWKZGOMDWUVPFI-UHFFFAOYSA-N
Compound name
1-cyclopropyl-7-fluoro-8-[2-(methylaminomethyl)morpholin-4-yl]-4-oxoquinolizine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

375.15942 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.16670 190.6
[M+Na]+ 398.14864 199.3
[M-H]- 374.15214 196.8
[M+NH4]+ 393.19324 194.2
[M+K]+ 414.12258 193.7
[M+H-H2O]+ 358.15668 180.0
[M+HCOO]- 420.15762 203.9
[M+CH3COO]- 434.17327 222.2
[M+Na-2H]- 396.13409 190.9
[M]+ 375.15887 191.3
[M]- 375.15997 191.3
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.