CID 3948

Lomefloxacin

Structural Information

Molecular Formula
C17H19F2N3O3
SMILES
CCN1C=C(C(=O)C2=CC(=C(C(=C21)F)N3CCNC(C3)C)F)C(=O)O
InChI
InChI=1S/C17H19F2N3O3/c1-3-21-8-11(17(24)25)16(23)10-6-12(18)15(13(19)14(10)21)22-5-4-20-9(2)7-22/h6,8-9,20H,3-5,7H2,1-2H3,(H,24,25)
InChIKey
ZEKZLJVOYLTDKK-UHFFFAOYSA-N
Compound name
1-ethyl-6,8-difluoro-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

845
References

30774
Patents

351.13943 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.146706 183.7
[M+Na]+ 374.128648 192.9
[M-H]- 350.132154 182.3
[M+NH4]+ 369.173253 192.7
[M+K]+ 390.102588 186.1
[M+H-H2O]+ 334.136690 172.7
[M+HCOO]- 396.137631 192.9
[M+CH3COO]- 410.153281 212.9
[M+Na-2H]- 372.114096 181.8
[M]+ 351.13888142 179.1
[M]- 351.13997858 179.1
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