PubChemLite - Vimseltinib (C23H25N7O2)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C23H25N7O2/c1-14(2)27-23-25-12-18(22(31)30(23)5)19-6-7-21(15(3)28-19)32-17-8-9-24-20(10-17)16-11-26-29(4)13-16/h6-14H,1-5H3,(H,25,27)

InChIKey

TVGAHWWPABTBCX-UHFFFAOYSA-N

Compound name

3-methyl-5-[6-methyl-5-[2-(1-methylpyrazol-4-yl)pyridin-4-yl]oxypyridin-2-yl]-2-(propan-2-ylamino)pyrimidin-4-one

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]+	432.21425	206.2
[M+Na]+	454.19619	222.5
[M+NH4]+	449.24079	210.1
[M+K]+	470.17013	217.7
[M-H]-	430.19969	211.2
[M+Na-2H]-	452.18164	215.6
[M]+	431.20642	209.9
[M]-	431.20752	209.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

432.21425

206.2

[M+Na]+

454.19619

222.5

[M+NH4]+

449.24079

210.1

[M+K]+

470.17013

217.7

[M-H]-

430.19969

211.2

[M+Na-2H]-

452.18164

215.6

[M]+

431.20642

209.9

[M]-

431.20752

209.9

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

Vimseltinib

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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