PubChemLite - Ciprofloxacin dr (C26H23FN4O5)

Structural Information

Molecular Formula

SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)CN5C6=CC=CC=C6C(=O)C5=O)F)C(=O)O

InChI

InChI=1S/C26H23FN4O5/c27-19-11-17-21(30(15-5-6-15)13-18(23(17)32)26(35)36)12-22(19)29-9-7-28(8-10-29)14-31-20-4-2-1-3-16(20)24(33)25(31)34/h1-4,11-13,15H,5-10,14H2,(H,35,36)

InChIKey

UBUODDFHCHLKJK-UHFFFAOYSA-N

Compound name

1-cyclopropyl-7-[4-[(2,3-dioxoindol-1-yl)methyl]piperazin-1-yl]-6-fluoro-4-oxoquinoline-3-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]+	491.17253	226.1
[M+Na]+	513.15447	235.4
[M-H]-	489.15797	232.6
[M+NH4]+	508.19907	225.7
[M+K]+	529.12841	225.7
[M+H-H2O]+	473.16251	214.3
[M+HCOO]-	535.16345	234.2
[M+CH3COO]-	549.17910	231.0
[M+Na-2H]-	511.13992	219.9
[M]+	490.16470	226.1
[M]-	490.16580	226.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

491.17253

226.1

[M+Na]+

513.15447

235.4

[M-H]-

489.15797

232.6

[M+NH4]+

508.19907

225.7

[M+K]+

529.12841

225.7

[M+H-H2O]+

473.16251

214.3

[M+HCOO]-

535.16345

234.2

[M+CH3COO]-

549.17910

231.0

[M+Na-2H]-

511.13992

219.9

[M]+

490.16470

226.1

[M]-

490.16580

226.1

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

Ciprofloxacin dr

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe