PubChemLite - Dalpiciclib (C25H30N6O2)

Structural Information

Molecular Formula

SMILES

CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)C4CCNCC4)C5CCCC5)C(=O)C

InChI

InChI=1S/C25H30N6O2/c1-15-20-14-28-25(29-21-8-7-18(13-27-21)17-9-11-26-12-10-17)30-23(20)31(19-5-3-4-6-19)24(33)22(15)16(2)32/h7-8,13-14,17,19,26H,3-6,9-12H2,1-2H3,(H,27,28,29,30)

InChIKey

SGJLSPUSUBJWHO-UHFFFAOYSA-N

Compound name

6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperidin-4-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]+	447.25028	210.4
[M+Na]+	469.23222	223.1
[M+NH4]+	464.27682	215.2
[M+K]+	485.20616	218.1
[M-H]-	445.23572	215.4
[M+Na-2H]-	467.21767	216.3
[M]+	446.24245	213.3
[M]-	446.24355	213.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

447.25028

210.4

[M+Na]+

469.23222

223.1

[M+NH4]+

464.27682

215.2

[M+K]+

485.20616

218.1

[M-H]-

445.23572

215.4

[M+Na-2H]-

467.21767

216.3

[M]+

446.24245

213.3

[M]-

446.24355

213.3

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

Dalpiciclib

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe