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

47
Patents

282.10043 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.107706 162.5
[M+Na]+ 305.089648 173.7
[M-H]- 281.093154 167.6
[M+NH4]+ 300.134253 178.1
[M+K]+ 321.063588 168.5
[M+H-H2O]+ 265.097690 154.3
[M+HCOO]- 327.098631 183.9
[M+CH3COO]- 341.114281 198.4
[M+Na-2H]- 303.075096 166.3
[M]+ 282.09988142 166.2
[M]- 282.10097858 166.2
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