PubChemLite - 8-(3,5,6,7,8,8a-hexahydro-1h-imidazo[1,5-a]pyridin-2-yl)-1-cyclopropyl-7-fluoro-9-methyl-4-oxo-1,9a-dihydroquinolizine-3-carboxylic acid (C21H26FN3O3)

Structural Information

Molecular Formula

SMILES

CC1=C(C(=CN2C1C(C=C(C2=O)C(=O)O)C3CC3)F)N4CC5CCCCN5C4

InChI

InChI=1S/C21H26FN3O3/c1-12-18-15(13-5-6-13)8-16(21(27)28)20(26)25(18)10-17(22)19(12)24-9-14-4-2-3-7-23(14)11-24/h8,10,13-15,18H,2-7,9,11H2,1H3,(H,27,28)

InChIKey

FIGCDBNDSUDUST-UHFFFAOYSA-N

Compound name

8-(3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridin-2-yl)-1-cyclopropyl-7-fluoro-9-methyl-4-oxo-1,9a-dihydroquinolizine-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]+	388.20311	200.0
[M+Na]+	410.18505	207.4
[M-H]-	386.18855	203.9
[M+NH4]+	405.22965	205.7
[M+K]+	426.15899	199.3
[M+H-H2O]+	370.19309	190.0
[M+HCOO]-	432.19403	206.7
[M+CH3COO]-	446.20968	206.1
[M+Na-2H]-	408.17050	193.9
[M]+	387.19528	195.9
[M]-	387.19638	195.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

388.20311

200.0

[M+Na]+

410.18505

207.4

[M-H]-

386.18855

203.9

[M+NH4]+

405.22965

205.7

[M+K]+

426.15899

199.3

[M+H-H2O]+

370.19309

190.0

[M+HCOO]-

432.19403

206.7

[M+CH3COO]-

446.20968

206.1

[M+Na-2H]-

408.17050

193.9

[M]+

387.19528

195.9

[M]-

387.19638

195.9

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

8-(3,5,6,7,8,8a-hexahydro-1h-imidazo[1,5-a]pyridin-2-yl)-1-cyclopropyl-7-fluoro-9-methyl-4-oxo-1,9a-dihydroquinolizine-3-carboxylic acid

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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