PubChemLite - 1-cyclopropyl-6-fluoro-7-[4-[(2e)-2-(4-fluorophenyl)-2-hydroxyimino-ethyl]piperazin-1-yl]-4-oxo-quinoline-3-carboxylic acid (C25H24F2N4O4)

Structural Information

Molecular Formula

SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)C/C(=N/O)/C5=CC=C(C=C5)F)F)C(=O)O

InChI

InChI=1S/C25H24F2N4O4/c26-16-3-1-15(2-4-16)21(28-35)14-29-7-9-30(10-8-29)23-12-22-18(11-20(23)27)24(32)19(25(33)34)13-31(22)17-5-6-17/h1-4,11-13,17,35H,5-10,14H2,(H,33,34)/b28-21-

InChIKey

WPPRRYNBKWORCQ-HFTWOUSFSA-N

Compound name

1-cyclopropyl-6-fluoro-7-[4-[(2E)-2-(4-fluorophenyl)-2-hydroxyiminoethyl]piperazin-1-yl]-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]+	483.18385	216.1
[M+Na]+	505.16579	223.4
[M-H]-	481.16929	221.2
[M+NH4]+	500.21039	214.4
[M+K]+	521.13973	214.7
[M+H-H2O]+	465.17383	202.9
[M+HCOO]-	527.17477	226.4
[M+CH3COO]-	541.19042	220.9
[M+Na-2H]-	503.15124	213.0
[M]+	482.17602	213.8
[M]-	482.17712	213.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

483.18385

216.1

[M+Na]+

505.16579

223.4

[M-H]-

481.16929

221.2

[M+NH4]+

500.21039

214.4

[M+K]+

521.13973

214.7

[M+H-H2O]+

465.17383

202.9

[M+HCOO]-

527.17477

226.4

[M+CH3COO]-

541.19042

220.9

[M+Na-2H]-

503.15124

213.0

[M]+

482.17602

213.8

[M]-

482.17712

213.8

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

1-cyclopropyl-6-fluoro-7-[4-[(2e)-2-(4-fluorophenyl)-2-hydroxyimino-ethyl]piperazin-1-yl]-4-oxo-quinoline-3-carboxylic acid

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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