CID 51081

Pefloxacin

Structural Information

Molecular Formula
C17H20FN3O3
SMILES
CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C)F)C(=O)O
InChI
InChI=1S/C17H20FN3O3/c1-3-20-10-12(17(23)24)16(22)11-8-13(18)15(9-14(11)20)21-6-4-19(2)5-7-21/h8-10H,3-7H2,1-2H3,(H,23,24)
InChIKey
FHFYDNQZQSQIAI-UHFFFAOYSA-N
Compound name
1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

1183
References

17604
Patents

333.14886 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.15614 180.4
[M+Na]+ 356.13808 192.9
[M+NH4]+ 351.18268 185.4
[M+K]+ 372.11202 187.0
[M-H]- 332.14158 180.5
[M+Na-2H]- 354.12353 183.6
[M]+ 333.14831 181.9
[M]- 333.14941 181.9
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