PubChemLite - 1-tert-butyl-6-fluoro-7-(methyl[?]yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid (C20H23FN4O3)

Structural Information

Molecular Formula

SMILES

CC(C)(C)N1C=C(C(=O)C2=CC(=C(N=C21)N3CC45CCC4(C3)N5C)F)C(=O)O

InChI

InChI=1S/C20H23FN4O3/c1-18(2,3)25-8-12(17(27)28)14(26)11-7-13(21)16(22-15(11)25)24-9-19-5-6-20(19,10-24)23(19)4/h7-8H,5-6,9-10H2,1-4H3,(H,27,28)

InChIKey

QCHUAIVVLVBMSQ-UHFFFAOYSA-N

Compound name

1-tert-butyl-6-fluoro-7-(8-methyl-3,8-diazatricyclo[3.2.1.01,5]octan-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]+	387.18268	207.4
[M+Na]+	409.16462	218.2
[M-H]-	385.16812	211.3
[M+NH4]+	404.20922	210.5
[M+K]+	425.13856	214.5
[M+H-H2O]+	369.17266	195.0
[M+HCOO]-	431.17360	215.6
[M+CH3COO]-	445.18925	224.3
[M+Na-2H]-	407.15007	206.8
[M]+	386.17485	219.5
[M]-	386.17595	219.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

387.18268

207.4

[M+Na]+

409.16462

218.2

[M-H]-

385.16812

211.3

[M+NH4]+

404.20922

210.5

[M+K]+

425.13856

214.5

[M+H-H2O]+

369.17266

195.0

[M+HCOO]-

431.17360

215.6

[M+CH3COO]-

445.18925

224.3

[M+Na-2H]-

407.15007

206.8

[M]+

386.17485

219.5

[M]-

386.17595

219.5

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

1-tert-butyl-6-fluoro-7-(methyl[?]yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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