PubChemLite - N-(8,9-difluoro-6-oxo-2,3,4,5-tetrahydro-1h-benzo[c][1,7]naphthyridin-1-yl)-n-methyl-isoindoline-2-carboxamide (C22H20F2N4O2)

Structural Information

Molecular Formula

SMILES

CN(C1CNCC2=C1C3=CC(=C(C=C3C(=O)N2)F)F)C(=O)N4CC5=CC=CC=C5C4

InChI

InChI=1S/C22H20F2N4O2/c1-27(22(30)28-10-12-4-2-3-5-13(12)11-28)19-9-25-8-18-20(19)14-6-16(23)17(24)7-15(14)21(29)26-18/h2-7,19,25H,8-11H2,1H3,(H,26,29)

InChIKey

CDWPBANHNMESDD-UHFFFAOYSA-N

Compound name

N-(8,9-difluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl)-N-methyl-1,3-dihydroisoindole-2-carboxamide

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]+	411.16271	196.2
[M+Na]+	433.14465	203.8
[M-H]-	409.14815	197.6
[M+NH4]+	428.18925	206.2
[M+K]+	449.11859	195.7
[M+H-H2O]+	393.15269	184.2
[M+HCOO]-	455.15363	205.2
[M+CH3COO]-	469.16928	203.0
[M+Na-2H]-	431.13010	195.4
[M]+	410.15488	190.3
[M]-	410.15598	190.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

411.16271

196.2

[M+Na]+

433.14465

203.8

[M-H]-

409.14815

197.6

[M+NH4]+

428.18925

206.2

[M+K]+

449.11859

195.7

[M+H-H2O]+

393.15269

184.2

[M+HCOO]-

455.15363

205.2

[M+CH3COO]-

469.16928

203.0

[M+Na-2H]-

431.13010

195.4

[M]+

410.15488

190.3

[M]-

410.15598

190.3

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

N-(8,9-difluoro-6-oxo-2,3,4,5-tetrahydro-1h-benzo[c][1,7]naphthyridin-1-yl)-n-methyl-isoindoline-2-carboxamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe