PubChemLite - Ribociclib (C23H30N8O)

Structural Information

Molecular Formula

SMILES

CN(C)C(=O)C1=CC2=CN=C(N=C2N1C3CCCC3)NC4=NC=C(C=C4)N5CCNCC5

InChI

InChI=1S/C23H30N8O/c1-29(2)22(32)19-13-16-14-26-23(28-21(16)31(19)17-5-3-4-6-17)27-20-8-7-18(15-25-20)30-11-9-24-10-12-30/h7-8,13-15,17,24H,3-6,9-12H2,1-2H3,(H,25,26,27,28)

InChIKey

RHXHGRAEPCAFML-UHFFFAOYSA-N

Compound name

7-cyclopentyl-N,N-dimethyl-2-[(5-piperazin-1-ylpyridin-2-yl)amino]pyrrolo[2,3-d]pyrimidine-6-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]+	435.26155	200.9
[M+Na]+	457.24349	211.5
[M+NH4]+	452.28809	205.7
[M+K]+	473.21743	210.0
[M-H]-	433.24699	205.7
[M+Na-2H]-	455.22894	207.7
[M]+	434.25372	203.3
[M]-	434.25482	203.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

435.26155

200.9

[M+Na]+

457.24349

211.5

[M+NH4]+

452.28809

205.7

[M+K]+

473.21743

210.0

[M-H]-

433.24699

205.7

[M+Na-2H]-

455.22894

207.7

[M]+

434.25372

203.3

[M]-

434.25482

203.3

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

Ribociclib

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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