PubChemLite - 4-n-propyl ofloxacin (C20H24FN3O4)

Structural Information

Molecular Formula

SMILES

CCCN1CCN(CC1)C2=C(C=C3C4=C2OCC(N4C=C(C3=O)C(=O)O)C)F

InChI

InChI=1S/C20H24FN3O4/c1-3-4-22-5-7-23(8-6-22)17-15(21)9-13-16-19(17)28-11-12(2)24(16)10-14(18(13)25)20(26)27/h9-10,12H,3-8,11H2,1-2H3,(H,26,27)

InChIKey

SUCNQMBJPDAVAJ-UHFFFAOYSA-N

Compound name

7-fluoro-2-methyl-10-oxo-6-(4-propylpiperazin-1-yl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	390.18236	196.9
[M+Na]+	412.16430	204.0
[M-H]-	388.16780	197.9
[M+NH4]+	407.20890	204.4
[M+K]+	428.13824	199.4
[M+H-H2O]+	372.17234	185.0
[M+HCOO]-	434.17328	203.4
[M+CH3COO]-	448.18893	223.7
[M+Na-2H]-	410.14975	196.2
[M]+	389.17453	195.7
[M]-	389.17563	195.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

390.18236

196.9

[M+Na]+

412.16430

204.0

[M-H]-

388.16780

197.9

[M+NH4]+

407.20890

204.4

[M+K]+

428.13824

199.4

[M+H-H2O]+

372.17234

185.0

[M+HCOO]-

434.17328

203.4

[M+CH3COO]-

448.18893

223.7

[M+Na-2H]-

410.14975

196.2

[M]+

389.17453

195.7

[M]-

389.17563

195.7

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

4-n-propyl ofloxacin

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe