PubChemLite - Pf-07202954 (C22H23FN6O3)

Structural Information

Molecular Formula

SMILES

CCOC1=C(N=CC=C1)OC2=CN=CC(=C2)C3=NC=C(C=N3)C(=O)N[C@H]4C[C@@H](CNC4)F

InChI

InChI=1S/C22H23FN6O3/c1-2-31-19-4-3-5-26-22(19)32-18-6-14(8-24-13-18)20-27-9-15(10-28-20)21(30)29-17-7-16(23)11-25-12-17/h3-6,8-10,13,16-17,25H,2,7,11-12H2,1H3,(H,29,30)/t16-,17-/m0/s1

InChIKey

CPBXJSPVZIPJMX-IRXDYDNUSA-N

Compound name

2-[5-(3-ethoxypyridin-2-yl)oxypyridin-3-yl]-N-[(3S,5S)-5-fluoropiperidin-3-yl]pyrimidine-5-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]+	439.18886	204.9
[M+Na]+	461.17080	209.1
[M-H]-	437.17430	207.4
[M+NH4]+	456.21540	204.8
[M+K]+	477.14474	201.5
[M+H-H2O]+	421.17884	189.3
[M+HCOO]-	483.17978	215.6
[M+CH3COO]-	497.19543	209.6
[M+Na-2H]-	459.15625	206.8
[M]+	438.18103	200.1
[M]-	438.18213	200.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

439.18886

204.9

[M+Na]+

461.17080

209.1

[M-H]-

437.17430

207.4

[M+NH4]+

456.21540

204.8

[M+K]+

477.14474

201.5

[M+H-H2O]+

421.17884

189.3

[M+HCOO]-

483.17978

215.6

[M+CH3COO]-

497.19543

209.6

[M+Na-2H]-

459.15625

206.8

[M]+

438.18103

200.1

[M]-

438.18213

200.1

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

Pf-07202954

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe