PubChemLite - (+/-)-8-[3-amino-4-((r)-8-amino-6-aza-spiro[3.4]oct-6-yl)-pyrrolidin-1-yl]-1-cyclopropyl-7-fluoro-9-methyl-4-oxo-4h-quinolizine-3-carboxylic acid (C25H32FN5O3)

Structural Information

Molecular Formula

SMILES

CC1=C(C(=CN2C1=C(C=C(C2=O)C(=O)O)C3CC3)F)N4CC(C(C4)N5C[C@@H](C6(C5)CCC6)N)N

InChI

InChI=1S/C25H32FN5O3/c1-13-21-15(14-3-4-14)7-16(24(33)34)23(32)31(21)8-17(26)22(13)29-9-18(27)19(10-29)30-11-20(28)25(12-30)5-2-6-25/h7-8,14,18-20H,2-6,9-12,27-28H2,1H3,(H,33,34)/t18?,19?,20-/m0/s1

InChIKey

RHACFCKXGVONTQ-MHJFOBGBSA-N

Compound name

8-[3-amino-4-[(8R)-8-amino-6-azaspiro[3.4]octan-6-yl]pyrrolidin-1-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]+	470.25621	211.9
[M+Na]+	492.23815	217.9
[M-H]-	468.24165	220.2
[M+NH4]+	487.28275	210.9
[M+K]+	508.21209	213.0
[M+H-H2O]+	452.24619	199.2
[M+HCOO]-	514.24713	221.3
[M+CH3COO]-	528.26278	217.2
[M+Na-2H]-	490.22360	202.9
[M]+	469.24838	216.4
[M]-	469.24948	216.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

470.25621

211.9

[M+Na]+

492.23815

217.9

[M-H]-

468.24165

220.2

[M+NH4]+

487.28275

210.9

[M+K]+

508.21209

213.0

[M+H-H2O]+

452.24619

199.2

[M+HCOO]-

514.24713

221.3

[M+CH3COO]-

528.26278

217.2

[M+Na-2H]-

490.22360

202.9

[M]+

469.24838

216.4

[M]-

469.24948

216.4

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

(+/-)-8-[3-amino-4-((r)-8-amino-6-aza-spiro[3.4]oct-6-yl)-pyrrolidin-1-yl]-1-cyclopropyl-7-fluoro-9-methyl-4-oxo-4h-quinolizine-3-carboxylic acid

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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