PubChemLite - 4h-quinolizine-3-carboxylic acid, 8-(4-aminohexahydrocyclopenta[c]pyrrol-2(1h)-yl)-1-cyclopropyl-7-fluoro-9-methyl-4-oxo-, monohydrochloride (C21H24FN3O3)

Structural Information

Molecular Formula

SMILES

CC1=C(C(=CN2C1=C(C=C(C2=O)C(=O)O)C3CC3)F)N4CC5CCC(C5C4)N

InChI

InChI=1S/C21H24FN3O3/c1-10-18-13(11-2-3-11)6-14(21(27)28)20(26)25(18)9-16(22)19(10)24-7-12-4-5-17(23)15(12)8-24/h6,9,11-12,15,17H,2-5,7-8,23H2,1H3,(H,27,28)

InChIKey

JEUPGTSZZHIGIG-UHFFFAOYSA-N

Compound name

8-(4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[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	188.9
[M+Na]+	408.16940	199.1
[M-H]-	384.17290	195.9
[M+NH4]+	403.21400	198.1
[M+K]+	424.14334	190.5
[M+H-H2O]+	368.17744	182.0
[M+HCOO]-	430.17838	202.5
[M+CH3COO]-	444.19403	197.8
[M+Na-2H]-	406.15485	183.4
[M]+	385.17963	188.8
[M]-	385.18073	188.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

386.18746

188.9

[M+Na]+

408.16940

199.1

[M-H]-

384.17290

195.9

[M+NH4]+

403.21400

198.1

[M+K]+

424.14334

190.5

[M+H-H2O]+

368.17744

182.0

[M+HCOO]-

430.17838

202.5

[M+CH3COO]-

444.19403

197.8

[M+Na-2H]-

406.15485

183.4

[M]+

385.17963

188.8

[M]-

385.18073

188.8

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

4h-quinolizine-3-carboxylic acid, 8-(4-aminohexahydrocyclopenta[c]pyrrol-2(1h)-yl)-1-cyclopropyl-7-fluoro-9-methyl-4-oxo-, monohydrochloride

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe