CID 16734914

Alalevonadifloxacin

Structural Information

Molecular Formula
C22H26FN3O5
SMILES
C[C@H]1CCC2=C3N1C=C(C(=O)C3=CC(=C2N4CCC(CC4)OC(=O)[C@H](C)N)F)C(=O)O
InChI
InChI=1S/C22H26FN3O5/c1-11-3-4-14-18-15(20(27)16(21(28)29)10-26(11)18)9-17(23)19(14)25-7-5-13(6-8-25)31-22(30)12(2)24/h9-13H,3-8,24H2,1-2H3,(H,28,29)/t11-,12-/m0/s1
InChIKey
OUXXDXXQNWKOIF-RYUDHWBXSA-N
Compound name
(12S)-8-[4-[(2S)-2-aminopropanoyl]oxypiperidin-1-yl]-7-fluoro-12-methyl-4-oxo-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

20
References

45
Patents

431.18564 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.19292 200.5
[M+Na]+ 454.17486 209.4
[M+NH4]+ 449.21946 204.3
[M+K]+ 470.14880 205.6
[M-H]- 430.17836 200.1
[M+Na-2H]- 452.16031 199.8
[M]+ 431.18509 201.0
[M]- 431.18619 201.0
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

patents stripe