CID 37614

Miloxacin

Structural Information

Molecular Formula
C12H9NO6
SMILES
CON1C=C(C(=O)C2=CC3=C(C=C21)OCO3)C(=O)O
InChI
InChI=1S/C12H9NO6/c1-17-13-4-7(12(15)16)11(14)6-2-9-10(3-8(6)13)19-5-18-9/h2-4H,5H2,1H3,(H,15,16)
InChIKey
ABQYZRZVRIPTPI-UHFFFAOYSA-N
Compound name
5-methoxy-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

16
References

1989
Patents

263.043 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.050276 150.6
[M+Na]+ 286.032218 161.4
[M-H]- 262.035724 155.9
[M+NH4]+ 281.076823 166.7
[M+K]+ 302.006158 161.4
[M+H-H2O]+ 246.040260 144.8
[M+HCOO]- 308.041201 168.9
[M+CH3COO]- 322.056851 193.4
[M+Na-2H]- 284.017666 157.2
[M]+ 263.04245142 156.7
[M]- 263.04354858 156.7
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

patents stripe