PubChemLite - (+/-)-8-((3as,6ar)-3a-amino-hexahydro-cyclopenta[c]pyrrol-2-yl)-1-cyclopropyl-7-fluoro-9-methyl-4-oxo-4h-quinolizine-3-carboxylic acid (C21H24FN3O3)

Structural Information

Molecular Formula

SMILES

CC1=C(C(=CN2C1=C(C=C(C2=O)C(=O)O)C3CC3)F)N4C[C@H]5CCC[C@]5(C4)N

InChI

InChI=1S/C21H24FN3O3/c1-11-17-14(12-4-5-12)7-15(20(27)28)19(26)25(17)9-16(22)18(11)24-8-13-3-2-6-21(13,23)10-24/h7,9,12-13H,2-6,8,10,23H2,1H3,(H,27,28)/t13-,21-/m1/s1

InChIKey

ZQJJRPRLOCCXGJ-LRTDBIEQSA-N

Compound name

8-[(3aS,6aR)-3a-amino-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-1-cyclopropyl-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]+	386.18746	188.5
[M+Na]+	408.16940	198.8
[M-H]-	384.17290	195.3
[M+NH4]+	403.21400	199.4
[M+K]+	424.14334	191.1
[M+H-H2O]+	368.17744	181.9
[M+HCOO]-	430.17838	201.8
[M+CH3COO]-	444.19403	197.5
[M+Na-2H]-	406.15485	184.8
[M]+	385.17963	188.4
[M]-	385.18073	188.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

386.18746

188.5

[M+Na]+

408.16940

198.8

[M-H]-

384.17290

195.3

[M+NH4]+

403.21400

199.4

[M+K]+

424.14334

191.1

[M+H-H2O]+

368.17744

181.9

[M+HCOO]-

430.17838

201.8

[M+CH3COO]-

444.19403

197.5

[M+Na-2H]-

406.15485

184.8

[M]+

385.17963

188.4

[M]-

385.18073

188.4

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

(+/-)-8-((3as,6ar)-3a-amino-hexahydro-cyclopenta[c]pyrrol-2-yl)-1-cyclopropyl-7-fluoro-9-methyl-4-oxo-4h-quinolizine-3-carboxylic acid

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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