PubChemLite - N-cyclobutyl-4-[2-(cyclobutylamino)pyrimidin-4-yl]-2-[3-(dimethylamino)phenyl]pyrazolo[1,5-a]pyridin-7-amine (C27H31N7)

Structural Information

Molecular Formula

SMILES

CN(C)C1=CC=CC(=C1)C2=NN3C(=CC=C(C3=C2)C4=NC(=NC=C4)NC5CCC5)NC6CCC6

InChI

InChI=1S/C27H31N7/c1-33(2)21-11-3-6-18(16-21)24-17-25-22(12-13-26(34(25)32-24)29-19-7-4-8-19)23-14-15-28-27(31-23)30-20-9-5-10-20/h3,6,11-17,19-20,29H,4-5,7-10H2,1-2H3,(H,28,30,31)

InChIKey

FVLPTKFLEQCICT-UHFFFAOYSA-N

Compound name

N-cyclobutyl-4-[2-(cyclobutylamino)pyrimidin-4-yl]-2-[3-(dimethylamino)phenyl]pyrazolo[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]+	454.27138	205.1
[M+Na]+	476.25332	207.1
[M-H]-	452.25682	214.9
[M+NH4]+	471.29792	198.3
[M+K]+	492.22726	207.2
[M+H-H2O]+	436.26136	180.4
[M+HCOO]-	498.26230	220.5
[M+CH3COO]-	512.27795	210.1
[M+Na-2H]-	474.23877	205.4
[M]+	453.26355	219.4
[M]-	453.26465	219.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

454.27138

205.1

[M+Na]+

476.25332

207.1

[M-H]-

452.25682

214.9

[M+NH4]+

471.29792

198.3

[M+K]+

492.22726

207.2

[M+H-H2O]+

436.26136

180.4

[M+HCOO]-

498.26230

220.5

[M+CH3COO]-

512.27795

210.1

[M+Na-2H]-

474.23877

205.4

[M]+

453.26355

219.4

[M]-

453.26465

219.4

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

N-cyclobutyl-4-[2-(cyclobutylamino)pyrimidin-4-yl]-2-[3-(dimethylamino)phenyl]pyrazolo[1,5-a]pyridin-7-amine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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