PubChemLite - N-cyclobutyl-4-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-7-amine (C26H27FN6)

Structural Information

Molecular Formula

SMILES

C1CCC(C1)NC2=NC=CC(=N2)C3=CC=C(N4C3=CC(=N4)C5=CC=C(C=C5)F)NC6CCC6

InChI

InChI=1S/C26H27FN6/c27-18-10-8-17(9-11-18)23-16-24-21(12-13-25(33(24)32-23)29-19-6-3-7-19)22-14-15-28-26(31-22)30-20-4-1-2-5-20/h8-16,19-20,29H,1-7H2,(H,28,30,31)

InChIKey

RHWICIKFWRPODB-UHFFFAOYSA-N

Compound name

N-cyclobutyl-4-[2-(cyclopentylamino)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]+	443.23540	198.6
[M+Na]+	465.21734	203.4
[M-H]-	441.22084	208.4
[M+NH4]+	460.26194	199.5
[M+K]+	481.19128	198.0
[M+H-H2O]+	425.22538	179.4
[M+HCOO]-	487.22632	214.9
[M+CH3COO]-	501.24197	205.5
[M+Na-2H]-	463.20279	197.6
[M]+	442.22757	203.1
[M]-	442.22867	203.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

443.23540

198.6

[M+Na]+

465.21734

203.4

[M-H]-

441.22084

208.4

[M+NH4]+

460.26194

199.5

[M+K]+

481.19128

198.0

[M+H-H2O]+

425.22538

179.4

[M+HCOO]-

487.22632

214.9

[M+CH3COO]-

501.24197

205.5

[M+Na-2H]-

463.20279

197.6

[M]+

442.22757

203.1

[M]-

442.22867

203.1

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-(cyclopentylamino)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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