PubChemLite - 1-(4-fluorophenyl)-n-[3-fluoro-4-(1h-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxo-1,2-dihydropyridine-3-carboxamide (C25H16F2N4O3)

Structural Information

Molecular Formula

SMILES

C1=CN(C(=O)C(=C1)C(=O)NC2=CC(=C(C=C2)OC3=C4C=CNC4=NC=C3)F)C5=CC=C(C=C5)F

InChI

InChI=1S/C25H16F2N4O3/c26-15-3-6-17(7-4-15)31-13-1-2-19(25(31)33)24(32)30-16-5-8-22(20(27)14-16)34-21-10-12-29-23-18(21)9-11-28-23/h1-14H,(H,28,29)(H,30,32)

InChIKey

OBSFXHDOLBYWRJ-UHFFFAOYSA-N

Compound name

1-(4-fluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxopyridine-3-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]+	459.12633	206.9
[M+Na]+	481.10827	216.9
[M-H]-	457.11177	214.3
[M+NH4]+	476.15287	212.4
[M+K]+	497.08221	207.9
[M+H-H2O]+	441.11631	192.7
[M+HCOO]-	503.11725	224.6
[M+CH3COO]-	517.13290	214.9
[M+Na-2H]-	479.09372	208.6
[M]+	458.11850	206.9
[M]-	458.11960	206.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

459.12633

206.9

[M+Na]+

481.10827

216.9

[M-H]-

457.11177

214.3

[M+NH4]+

476.15287

212.4

[M+K]+

497.08221

207.9

[M+H-H2O]+

441.11631

192.7

[M+HCOO]-

503.11725

224.6

[M+CH3COO]-

517.13290

214.9

[M+Na-2H]-

479.09372

208.6

[M]+

458.11850

206.9

[M]-

458.11960

206.9

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

1-(4-fluorophenyl)-n-[3-fluoro-4-(1h-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxo-1,2-dihydropyridine-3-carboxamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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