CID 71188

Enrofloxacin

Structural Information

Molecular Formula
C19H22FN3O3
SMILES
CCN1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F
InChI
InChI=1S/C19H22FN3O3/c1-2-21-5-7-22(8-6-21)17-10-16-13(9-15(17)20)18(24)14(19(25)26)11-23(16)12-3-4-12/h9-12H,2-8H2,1H3,(H,25,26)
InChIKey
SPFYMRJSYKOXGV-UHFFFAOYSA-N
Compound name
1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

2396
References

16988
Patents

359.16452 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.17180 192.7
[M+Na]+ 382.15374 202.0
[M-H]- 358.15724 196.7
[M+NH4]+ 377.19834 197.0
[M+K]+ 398.12768 194.3
[M+H-H2O]+ 342.16178 181.6
[M+HCOO]- 404.16272 204.4
[M+CH3COO]- 418.17837 200.1
[M+Na-2H]- 380.13919 191.1
[M]+ 359.16397 192.0
[M]- 359.16507 192.0
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