CID 479546

(+/-)-8-(3-aminomethyl-pyrrolidin-1-yl)-1-cyclopropyl-7-fluoro-4-oxo-4h-quinolizine-3-carboxylic acid

Structural Information

Molecular Formula
C18H20FN3O3
SMILES
C1CC1C2=C3C=C(C(=CN3C(=O)C(=C2)C(=O)O)F)N4CCC(C4)CN
InChI
InChI=1S/C18H20FN3O3/c19-14-9-22-15(6-16(14)21-4-3-10(7-20)8-21)12(11-1-2-11)5-13(17(22)23)18(24)25/h5-6,9-11H,1-4,7-8,20H2,(H,24,25)
InChIKey
DFHAYXAONQQUSD-UHFFFAOYSA-N
Compound name
8-[3-(aminomethyl)pyrrolidin-1-yl]-1-cyclopropyl-7-fluoro-4-oxoquinolizine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

345.14886 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.15614 179.1
[M+Na]+ 368.13808 189.0
[M-H]- 344.14158 184.9
[M+NH4]+ 363.18268 186.9
[M+K]+ 384.11202 181.3
[M+H-H2O]+ 328.14612 170.5
[M+HCOO]- 390.14706 195.2
[M+CH3COO]- 404.16271 188.3
[M+Na-2H]- 366.12353 177.1
[M]+ 345.14831 178.7
[M]- 345.14941 178.7
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.