PubChemLite - 7-[(1s,5r)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclopropyl-6-fluoro-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid (C18H19FN4O3)

Structural Information

Molecular Formula

SMILES

CC1=C2C(=O)C(=CN(C2=NC(=C1F)N3C[C@@H]4[C@H](C3)C4N)C5CC5)C(=O)O

InChI

InChI=1S/C18H19FN4O3/c1-7-12-15(24)11(18(25)26)6-23(8-2-3-8)16(12)21-17(13(7)19)22-4-9-10(5-22)14(9)20/h6,8-10,14H,2-5,20H2,1H3,(H,25,26)/t9-,10+,14?

InChIKey

YPTWHMWJZHEJDG-XFLKPENQSA-N

Compound name

7-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclopropyl-6-fluoro-5-methyl-4-oxo-1,8-naphthyridine-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]+	359.15138	196.3
[M+Na]+	381.13332	206.8
[M-H]-	357.13682	201.2
[M+NH4]+	376.17792	198.0
[M+K]+	397.10726	197.8
[M+H-H2O]+	341.14136	189.5
[M+HCOO]-	403.14230	208.0
[M+CH3COO]-	417.15795	202.6
[M+Na-2H]-	379.11877	191.9
[M]+	358.14355	199.5
[M]-	358.14465	199.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

359.15138

196.3

[M+Na]+

381.13332

206.8

[M-H]-

357.13682

201.2

[M+NH4]+

376.17792

198.0

[M+K]+

397.10726

197.8

[M+H-H2O]+

341.14136

189.5

[M+HCOO]-

403.14230

208.0

[M+CH3COO]-

417.15795

202.6

[M+Na-2H]-

379.11877

191.9

[M]+

358.14355

199.5

[M]-

358.14465

199.5

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

7-[(1s,5r)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclopropyl-6-fluoro-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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