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

Structural Information

Molecular Formula

SMILES

CNC1C2C1CN(C2)C3=C(C=C4C(=O)C(=CN(C4=N3)C5CC5)C(=O)O)F

InChI

InChI=1S/C18H19FN4O3/c1-20-14-10-5-22(6-11(10)14)17-13(19)4-9-15(24)12(18(25)26)7-23(8-2-3-8)16(9)21-17/h4,7-8,10-11,14,20H,2-3,5-6H2,1H3,(H,25,26)

InChIKey

KUGUUEIWOWVFKH-UHFFFAOYSA-N

Compound name

1-cyclopropyl-6-fluoro-7-[6-(methylamino)-3-azabicyclo[3.1.0]hexan-3-yl]-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	196.2
[M+Na]+	381.13332	206.0
[M-H]-	357.13682	201.1
[M+NH4]+	376.17792	197.8
[M+K]+	397.10726	197.3
[M+H-H2O]+	341.14136	188.9
[M+HCOO]-	403.14230	208.5
[M+CH3COO]-	417.15795	202.4
[M+Na-2H]-	379.11877	193.2
[M]+	358.14355	199.6
[M]-	358.14465	199.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

359.15138

196.2

[M+Na]+

381.13332

206.0

[M-H]-

357.13682

201.1

[M+NH4]+

376.17792

197.8

[M+K]+

397.10726

197.3

[M+H-H2O]+

341.14136

188.9

[M+HCOO]-

403.14230

208.5

[M+CH3COO]-

417.15795

202.4

[M+Na-2H]-

379.11877

193.2

[M]+

358.14355

199.6

[M]-

358.14465

199.6

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

1-cyclopropyl-6-fluoro-7-[6-(methylamino)-3-azabicyclo[3.1.0]hexan-3-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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