PubChemLite - Ly3200882 (C24H29N5O3)

Structural Information

Molecular Formula

SMILES

CC(C)(C1=NC=CC(=C1)NC2=NC=CC(=C2)OC3=CN(N=C3C4CCOCC4)C5CC5)O

InChI

InChI=1S/C24H29N5O3/c1-24(2,30)21-13-17(5-9-25-21)27-22-14-19(6-10-26-22)32-20-15-29(18-3-4-18)28-23(20)16-7-11-31-12-8-16/h5-6,9-10,13-16,18,30H,3-4,7-8,11-12H2,1-2H3,(H,25,26,27)

InChIKey

PNPFMWIDAKQFPY-UHFFFAOYSA-N

Compound name

2-[4-[[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxypyridin-2-yl]amino]pyridin-2-yl]propan-2-ol

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]+	436.23433	209.0
[M+Na]+	458.21627	223.2
[M+NH4]+	453.26087	214.8
[M+K]+	474.19021	220.0
[M-H]-	434.21977	222.9
[M+Na-2H]-	456.20172	219.3
[M]+	435.22650	216.0
[M]-	435.22760	216.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

436.23433

209.0

[M+Na]+

458.21627

223.2

[M+NH4]+

453.26087

214.8

[M+K]+

474.19021

220.0

[M-H]-

434.21977

222.9

[M+Na-2H]-

456.20172

219.3

[M]+

435.22650

216.0

[M]-

435.22760

216.0

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

Ly3200882

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe