PubChemLite - 3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-n-pyrrolidin-1-yl-pyrazolo[1,5-a]pyridin-7-amine (C26H28FN7)

Structural Information

Molecular Formula

SMILES

C1CCC(C1)NC2=NC=CC(=N2)C3=C4C=CC=C(N4N=C3C5=CC=C(C=C5)F)NN6CCCC6

InChI

InChI=1S/C26H28FN7/c27-19-12-10-18(11-13-19)25-24(21-14-15-28-26(30-21)29-20-6-1-2-7-20)22-8-5-9-23(34(22)32-25)31-33-16-3-4-17-33/h5,8-15,20,31H,1-4,6-7,16-17H2,(H,28,29,30)

InChIKey

LIYUIYLCXAGVLM-UHFFFAOYSA-N

Compound name

3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-N-pyrrolidin-1-ylpyrazolo[1,5-a]pyridin-7-amine

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]+	458.24628	199.6
[M+Na]+	480.22822	205.0
[M-H]-	456.23172	209.7
[M+NH4]+	475.27282	206.2
[M+K]+	496.20216	196.6
[M+H-H2O]+	440.23626	185.6
[M+HCOO]-	502.23720	216.0
[M+CH3COO]-	516.25285	206.7
[M+Na-2H]-	478.21367	196.4
[M]+	457.23845	195.2
[M]-	457.23955	195.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

458.24628

199.6

[M+Na]+

480.22822

205.0

[M-H]-

456.23172

209.7

[M+NH4]+

475.27282

206.2

[M+K]+

496.20216

196.6

[M+H-H2O]+

440.23626

185.6

[M+HCOO]-

502.23720

216.0

[M+CH3COO]-

516.25285

206.7

[M+Na-2H]-

478.21367

196.4

[M]+

457.23845

195.2

[M]-

457.23955

195.2

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

3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-n-pyrrolidin-1-yl-pyrazolo[1,5-a]pyridin-7-amine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe