CID 15345880

Enrofloxacin n-oxide hydrochloride

Structural Information

Molecular Formula
C19H22FN3O4
SMILES
CC[N+]1(CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F)[O-]
InChI
InChI=1S/C19H22FN3O4/c1-2-23(27)7-5-21(6-8-23)17-10-16-13(9-15(17)20)18(24)14(19(25)26)11-22(16)12-3-4-12/h9-12H,2-8H2,1H3,(H,25,26)
InChIKey
YGBYEXPGFQCERP-UHFFFAOYSA-N
Compound name
1-cyclopropyl-7-(4-ethyl-4-oxidopiperazin-4-ium-1-yl)-6-fluoro-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.15942 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.16670 187.8
[M+Na]+ 398.14864 196.3
[M-H]- 374.15214 190.7
[M+NH4]+ 393.19324 192.5
[M+K]+ 414.12258 184.9
[M+H-H2O]+ 358.15668 182.1
[M+HCOO]- 420.15762 198.3
[M+CH3COO]- 434.17327 208.8
[M+Na-2H]- 396.13409 190.2
[M]+ 375.15887 184.5
[M]- 375.15997 184.5
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

No patent data available for this compound.