PubChemLite - (+/-)-1-cyclopropyl-8-[3-(4,5-dihydro-1h-imidazol-2-yl)-pyrrolidin-1-yl]-7-fluoro-9-methyl-4-oxo-4h-quinolizine-3-carboxylic acid (C21H23FN4O3)

Structural Information

Molecular Formula

SMILES

CC1=C(C(=CN2C1=C(C=C(C2=O)C(=O)O)C3CC3)F)N4CCC(C4)C5=NCCN5

InChI

InChI=1S/C21H23FN4O3/c1-11-17-14(12-2-3-12)8-15(21(28)29)20(27)26(17)10-16(22)18(11)25-7-4-13(9-25)19-23-5-6-24-19/h8,10,12-13H,2-7,9H2,1H3,(H,23,24)(H,28,29)

InChIKey

AIZSLFFZMXCWPB-UHFFFAOYSA-N

Compound name

1-cyclopropyl-8-[3-(4,5-dihydro-1H-imidazol-2-yl)pyrrolidin-1-yl]-7-fluoro-9-methyl-4-oxoquinolizine-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]+	399.18268	197.6
[M+Na]+	421.16462	207.2
[M-H]-	397.16812	203.3
[M+NH4]+	416.20922	202.0
[M+K]+	437.13856	197.9
[M+H-H2O]+	381.17266	188.3
[M+HCOO]-	443.17360	208.8
[M+CH3COO]-	457.18925	204.8
[M+Na-2H]-	419.15007	190.9
[M]+	398.17485	196.3
[M]-	398.17595	196.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

399.18268

197.6

[M+Na]+

421.16462

207.2

[M-H]-

397.16812

203.3

[M+NH4]+

416.20922

202.0

[M+K]+

437.13856

197.9

[M+H-H2O]+

381.17266

188.3

[M+HCOO]-

443.17360

208.8

[M+CH3COO]-

457.18925

204.8

[M+Na-2H]-

419.15007

190.9

[M]+

398.17485

196.3

[M]-

398.17595

196.3

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

(+/-)-1-cyclopropyl-8-[3-(4,5-dihydro-1h-imidazol-2-yl)-pyrrolidin-1-yl]-7-fluoro-9-methyl-4-oxo-4h-quinolizine-3-carboxylic acid

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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