PubChemLite - N-cyclobutyl-4-[2-(cyclobutylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-7-amine (C25H25FN6)

Structural Information

Molecular Formula

SMILES

C1CC(C1)NC2=CC=C(C3=CC(=NN23)C4=CC=C(C=C4)F)C5=NC(=NC=C5)NC6CCC6

InChI

InChI=1S/C25H25FN6/c26-17-9-7-16(8-10-17)22-15-23-20(11-12-24(32(23)31-22)28-18-3-1-4-18)21-13-14-27-25(30-21)29-19-5-2-6-19/h7-15,18-19,28H,1-6H2,(H,27,29,30)

InChIKey

ILQPJURAEFPGMU-UHFFFAOYSA-N

Compound name

N-cyclobutyl-4-[2-(cyclobutylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)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]+	429.21974	193.6
[M+Na]+	451.20168	198.0
[M-H]-	427.20518	201.6
[M+NH4]+	446.24628	187.8
[M+K]+	467.17562	196.3
[M+H-H2O]+	411.20972	169.6
[M+HCOO]-	473.21066	207.8
[M+CH3COO]-	487.22631	199.4
[M+Na-2H]-	449.18713	194.7
[M]+	428.21191	206.4
[M]-	428.21301	206.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

429.21974

193.6

[M+Na]+

451.20168

198.0

[M-H]-

427.20518

201.6

[M+NH4]+

446.24628

187.8

[M+K]+

467.17562

196.3

[M+H-H2O]+

411.20972

169.6

[M+HCOO]-

473.21066

207.8

[M+CH3COO]-

487.22631

199.4

[M+Na-2H]-

449.18713

194.7

[M]+

428.21191

206.4

[M]-

428.21301

206.4

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-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-7-amine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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