PubChemLite - Palbociclib (C24H29N7O2)

Structural Information

Molecular Formula

SMILES

CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C

InChI

InChI=1S/C24H29N7O2/c1-15-19-14-27-24(28-20-8-7-18(13-26-20)30-11-9-25-10-12-30)29-22(19)31(17-5-3-4-6-17)23(33)21(15)16(2)32/h7-8,13-14,17,25H,3-6,9-12H2,1-2H3,(H,26,27,28,29)

InChIKey

AHJRHEGDXFFMBM-UHFFFAOYSA-N

Compound name

6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperazin-1-ylpyridin-2-yl)amino]pyrido[2,3-d]pyrimidin-7-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]+	448.24556	209.4
[M+Na]+	470.22750	222.2
[M+NH4]+	465.27210	213.6
[M+K]+	486.20144	217.7
[M-H]-	446.23100	213.7
[M+Na-2H]-	468.21295	215.2
[M]+	447.23773	212.1
[M]-	447.23883	212.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

448.24556

209.4

[M+Na]+

470.22750

222.2

[M+NH4]+

465.27210

213.6

[M+K]+

486.20144

217.7

[M-H]-

446.23100

213.7

[M+Na-2H]-

468.21295

215.2

[M]+

447.23773

212.1

[M]-

447.23883

212.1

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

Palbociclib

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe