CID 287180

Rosoxacin

Structural Information

Molecular Formula
C17H14N2O3
SMILES
CCN1C=C(C(=O)C2=C1C=C(C=C2)C3=CC=NC=C3)C(=O)O
InChI
InChI=1S/C17H14N2O3/c1-2-19-10-14(17(21)22)16(20)13-4-3-12(9-15(13)19)11-5-7-18-8-6-11/h3-10H,2H2,1H3,(H,21,22)
InChIKey
XBPZXDSZHPDXQU-UHFFFAOYSA-N
Compound name
1-ethyl-4-oxo-7-pyridin-4-ylquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

90
References

5322
Patents

294.10043 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.107706 166.9
[M+Na]+ 317.089648 176.7
[M-H]- 293.093154 171.2
[M+NH4]+ 312.134253 179.9
[M+K]+ 333.063588 171.3
[M+H-H2O]+ 277.097690 157.6
[M+HCOO]- 339.098631 185.6
[M+CH3COO]- 353.114281 202.0
[M+Na-2H]- 315.075096 172.1
[M]+ 294.09988142 168.6
[M]- 294.10097858 168.6
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