CID 2762

Cinoxacin

Structural Information

Molecular Formula
C12H10N2O5
SMILES
CCN1C2=CC3=C(C=C2C(=O)C(=N1)C(=O)O)OCO3
InChI
InChI=1S/C12H10N2O5/c1-2-14-7-4-9-8(18-5-19-9)3-6(7)11(15)10(13-14)12(16)17/h3-4H,2,5H2,1H3,(H,16,17)
InChIKey
VDUWPHTZYNWKRN-UHFFFAOYSA-N
Compound name
1-ethyl-4-oxo-[1,3]dioxolo[4,5-g]cinnoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

201
References

14403
Patents

262.05896 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.066236 153.7
[M+Na]+ 285.048178 164.7
[M-H]- 261.051684 157.4
[M+NH4]+ 280.092783 168.5
[M+K]+ 301.022118 163.8
[M+H-H2O]+ 245.056220 147.0
[M+HCOO]- 307.057161 170.4
[M+CH3COO]- 321.072811 194.0
[M+Na-2H]- 283.033626 159.6
[M]+ 262.05841142 158.7
[M]- 262.05950858 158.7
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