PubChemLite - Pimicotinib (C22H24N6O3)

Structural Information

Molecular Formula

SMILES

CC1=C(C=CC(=N1)NC(=O)N2CCC(C2=O)(C)C)OC3=CC(=NC=C3)C4=CN(N=C4)C

InChI

InChI=1S/C22H24N6O3/c1-14-18(31-16-7-9-23-17(11-16)15-12-24-27(4)13-15)5-6-19(25-14)26-21(30)28-10-8-22(2,3)20(28)29/h5-7,9,11-13H,8,10H2,1-4H3,(H,25,26,30)

InChIKey

NXFPMDWYDKHFMM-UHFFFAOYSA-N

Compound name

3,3-dimethyl-N-[6-methyl-5-[2-(1-methylpyrazol-4-yl)pyridin-4-yl]oxypyridin-2-yl]-2-oxopyrrolidine-1-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]+	421.19826	198.9
[M+Na]+	443.18020	207.5
[M-H]-	419.18370	207.2
[M+NH4]+	438.22480	207.4
[M+K]+	459.15414	202.2
[M+H-H2O]+	403.18824	187.3
[M+HCOO]-	465.18918	216.3
[M+CH3COO]-	479.20483	207.8
[M+Na-2H]-	441.16565	196.5
[M]+	420.19043	201.1
[M]-	420.19153	201.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

421.19826

198.9

[M+Na]+

443.18020

207.5

[M-H]-

419.18370

207.2

[M+NH4]+

438.22480

207.4

[M+K]+

459.15414

202.2

[M+H-H2O]+

403.18824

187.3

[M+HCOO]-

465.18918

216.3

[M+CH3COO]-

479.20483

207.8

[M+Na-2H]-

441.16565

196.5

[M]+

420.19043

201.1

[M]-

420.19153

201.1

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

Pimicotinib

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe