PubChemLite - 2-(4-aminophenyl)-n-cyclobutyl-4-[2-(cyclobutylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-7-amine (C25H27N7)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C25H27N7/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,1-6,26H2,(H,27,29,30)

InChIKey

XRCRKZTZTROUHM-UHFFFAOYSA-N

Compound name

2-(4-aminophenyl)-N-cyclobutyl-4-[2-(cyclobutylamino)pyrimidin-4-yl]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]+	426.24008	195.5
[M+Na]+	448.22202	198.5
[M-H]-	424.22552	204.2
[M+NH4]+	443.26662	189.2
[M+K]+	464.19596	197.6
[M+H-H2O]+	408.23006	171.5
[M+HCOO]-	470.23100	210.8
[M+CH3COO]-	484.24665	200.9
[M+Na-2H]-	446.20747	196.9
[M]+	425.23225	207.7
[M]-	425.23335	207.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

426.24008

195.5

[M+Na]+

448.22202

198.5

[M-H]-

424.22552

204.2

[M+NH4]+

443.26662

189.2

[M+K]+

464.19596

197.6

[M+H-H2O]+

408.23006

171.5

[M+HCOO]-

470.23100

210.8

[M+CH3COO]-

484.24665

200.9

[M+Na-2H]-

446.20747

196.9

[M]+

425.23225

207.7

[M]-

425.23335

207.7

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

2-(4-aminophenyl)-n-cyclobutyl-4-[2-(cyclobutylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-7-amine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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