PubChemLite - 2311863-20-2 (C23H24FN5O4)

Structural Information

Molecular Formula

SMILES

COC1=CC(=NC=C1OC2=CC=C(C=C2)F)C(=O)N3CCN(CC3)C4=CN=C(C=C4OC)N

InChI

InChI=1S/C23H24FN5O4/c1-31-19-12-22(25)27-13-18(19)28-7-9-29(10-8-28)23(30)17-11-20(32-2)21(14-26-17)33-16-5-3-15(24)4-6-16/h3-6,11-14H,7-10H2,1-2H3,(H2,25,27)

InChIKey

OEOSTMIGRJCBNK-UHFFFAOYSA-N

Compound name

[4-(6-amino-4-methoxypyridin-3-yl)piperazin-1-yl]-[5-(4-fluorophenoxy)-4-methoxypyridin-2-yl]methanone

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]+	454.18852	211.1
[M+Na]+	476.17046	216.9
[M-H]-	452.17396	216.5
[M+NH4]+	471.21506	212.7
[M+K]+	492.14440	211.0
[M+H-H2O]+	436.17850	195.9
[M+HCOO]-	498.17944	223.9
[M+CH3COO]-	512.19509	235.0
[M+Na-2H]-	474.15591	210.1
[M]+	453.18069	209.3
[M]-	453.18179	209.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

454.18852

211.1

[M+Na]+

476.17046

216.9

[M-H]-

452.17396

216.5

[M+NH4]+

471.21506

212.7

[M+K]+

492.14440

211.0

[M+H-H2O]+

436.17850

195.9

[M+HCOO]-

498.17944

223.9

[M+CH3COO]-

512.19509

235.0

[M+Na-2H]-

474.15591

210.1

[M]+

453.18069

209.3

[M]-

453.18179

209.3

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

2311863-20-2

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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