CID 479555

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

Structural Information

Molecular Formula
C18H20FN3O4
SMILES
C1CC1C2=C3C=C(C(=CN3C(=O)C(=C2)C(=O)O)F)N4CCOC(C4)CN
InChI
InChI=1S/C18H20FN3O4/c19-14-9-22-15(6-16(14)21-3-4-26-11(7-20)8-21)12(10-1-2-10)5-13(17(22)23)18(24)25/h5-6,9-11H,1-4,7-8,20H2,(H,24,25)
InChIKey
XAPLKIUVFGEQSR-UHFFFAOYSA-N
Compound name
8-[2-(aminomethyl)morpholin-4-yl]-1-cyclopropyl-7-fluoro-4-oxoquinolizine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

361.1438 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.15108 186.5
[M+Na]+ 384.13302 195.7
[M-H]- 360.13652 192.5
[M+NH4]+ 379.17762 190.5
[M+K]+ 400.10696 190.0
[M+H-H2O]+ 344.14106 176.3
[M+HCOO]- 406.14200 199.6
[M+CH3COO]- 420.15765 219.0
[M+Na-2H]- 382.11847 186.4
[M]+ 361.14325 186.1
[M]- 361.14435 186.1
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.