PubChemLite - 1-cyclopropyl-6-fluoro-4-oxo-7-[(2,2,6,6-tetramethyl-4-piperidyl)methylamino]quinoline-3-carboxylic acid (C23H30FN3O3)

Structural Information

Molecular Formula

SMILES

CC1(CC(CC(N1)(C)C)CNC2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F)C

InChI

InChI=1S/C23H30FN3O3/c1-22(2)9-13(10-23(3,4)26-22)11-25-18-8-19-15(7-17(18)24)20(28)16(21(29)30)12-27(19)14-5-6-14/h7-8,12-14,25-26H,5-6,9-11H2,1-4H3,(H,29,30)

InChIKey

VQHHMMUUUMVHDE-UHFFFAOYSA-N

Compound name

1-cyclopropyl-6-fluoro-4-oxo-7-[(2,2,6,6-tetramethylpiperidin-4-yl)methylamino]quinoline-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]+	416.23438	200.7
[M+Na]+	438.21632	209.7
[M-H]-	414.21982	205.1
[M+NH4]+	433.26092	207.6
[M+K]+	454.19026	203.4
[M+H-H2O]+	398.22436	192.4
[M+HCOO]-	460.22530	211.4
[M+CH3COO]-	474.24095	229.3
[M+Na-2H]-	436.20177	200.0
[M]+	415.22655	200.6
[M]-	415.22765	200.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

416.23438

200.7

[M+Na]+

438.21632

209.7

[M-H]-

414.21982

205.1

[M+NH4]+

433.26092

207.6

[M+K]+

454.19026

203.4

[M+H-H2O]+

398.22436

192.4

[M+HCOO]-

460.22530

211.4

[M+CH3COO]-

474.24095

229.3

[M+Na-2H]-

436.20177

200.0

[M]+

415.22655

200.6

[M]-

415.22765

200.6

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-4-oxo-7-[(2,2,6,6-tetramethyl-4-piperidyl)methylamino]quinoline-3-carboxylic acid

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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