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]+ 376.166696 187.8
[M+Na]+ 398.148638 196.3
[M-H]- 374.152144 190.7
[M+NH4]+ 393.193243 192.5
[M+K]+ 414.122578 184.9
[M+H-H2O]+ 358.156680 182.1
[M+HCOO]- 420.157621 198.3
[M+CH3COO]- 434.173271 208.8
[M+Na-2H]- 396.134086 190.2
[M]+ 375.15887142 184.5
[M]- 375.15996858 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.