CID 175565

Piroxacin

Structural Information

Molecular Formula
C16H14N2O3
SMILES
CCN1C=C(C(=O)C2=C1C=C(C=C2)N3C=CC=C3)C(=O)O
InChI
InChI=1S/C16H14N2O3/c1-2-17-10-13(16(20)21)15(19)12-6-5-11(9-14(12)17)18-7-3-4-8-18/h3-10H,2H2,1H3,(H,20,21)
InChIKey
FELNOORDZDEBLV-UHFFFAOYSA-N
Compound name
1-ethyl-4-oxo-7-pyrrol-1-ylquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

16
Patents

282.10043 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.10771 163.1
[M+Na]+ 305.08965 178.3
[M+NH4]+ 300.13425 170.0
[M+K]+ 321.06359 173.5
[M-H]- 281.09315 165.5
[M+Na-2H]- 303.07510 170.3
[M]+ 282.09988 165.9
[M]- 282.10098 165.9
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