PubChemLite - 4h-quinolizine-3-carboxylic acid, 8-(4-aminohexahydro-4-methylcyclopenta[c]pyrrol-2(1h)-yl)-1-cyclopropyl-7-fluoro-9-methyl-4-oxo-, monohydrochloride (C22H26FN3O3)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C22H26FN3O3/c1-11-18-14(12-3-4-12)7-15(21(28)29)20(27)26(18)10-17(23)19(11)25-8-13-5-6-22(2,24)16(13)9-25/h7,10,12-13,16H,3-6,8-9,24H2,1-2H3,(H,28,29)

InChIKey

QNDWRRFREVLNBH-UHFFFAOYSA-N

Compound name

8-(4-amino-4-methyl-1,3,3a,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]+	400.20311	192.8
[M+Na]+	422.18505	203.5
[M-H]-	398.18855	199.9
[M+NH4]+	417.22965	203.4
[M+K]+	438.15899	195.5
[M+H-H2O]+	382.19309	186.5
[M+HCOO]-	444.19403	205.7
[M+CH3COO]-	458.20968	201.7
[M+Na-2H]-	420.17050	188.0
[M]+	399.19528	193.5
[M]-	399.19638	193.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

400.20311

192.8

[M+Na]+

422.18505

203.5

[M-H]-

398.18855

199.9

[M+NH4]+

417.22965

203.4

[M+K]+

438.15899

195.5

[M+H-H2O]+

382.19309

186.5

[M+HCOO]-

444.19403

205.7

[M+CH3COO]-

458.20968

201.7

[M+Na-2H]-

420.17050

188.0

[M]+

399.19528

193.5

[M]-

399.19638

193.5

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-aminohexahydro-4-methylcyclopenta[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