PubChemLite - N-cyclopentyl-4-[2-(cyclopentylamino)pyrimidin-4-yl]-2-phenyl-pyrazolo[1,5-a]pyridin-7-amine (C27H30N6)

Structural Information

Molecular Formula

SMILES

C1CCC(C1)NC2=CC=C(C3=CC(=NN23)C4=CC=CC=C4)C5=NC(=NC=C5)NC6CCCC6

InChI

InChI=1S/C27H30N6/c1-2-8-19(9-3-1)24-18-25-22(14-15-26(33(25)32-24)29-20-10-4-5-11-20)23-16-17-28-27(31-23)30-21-12-6-7-13-21/h1-3,8-9,14-18,20-21,29H,4-7,10-13H2,(H,28,30,31)

InChIKey

ABNAXPRABNFYQZ-UHFFFAOYSA-N

Compound name

N-cyclopentyl-4-[2-(cyclopentylamino)pyrimidin-4-yl]-2-phenylpyrazolo[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]+	439.26048	196.3
[M+Na]+	461.24242	200.4
[M-H]-	437.24592	208.3
[M+NH4]+	456.28702	204.8
[M+K]+	477.21636	192.6
[M+H-H2O]+	421.25046	183.6
[M+HCOO]-	483.25140	214.8
[M+CH3COO]-	497.26705	204.0
[M+Na-2H]-	459.22787	194.0
[M]+	438.25265	192.1
[M]-	438.25375	192.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

439.26048

196.3

[M+Na]+

461.24242

200.4

[M-H]-

437.24592

208.3

[M+NH4]+

456.28702

204.8

[M+K]+

477.21636

192.6

[M+H-H2O]+

421.25046

183.6

[M+HCOO]-

483.25140

214.8

[M+CH3COO]-

497.26705

204.0

[M+Na-2H]-

459.22787

194.0

[M]+

438.25265

192.1

[M]-

438.25375

192.1

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

N-cyclopentyl-4-[2-(cyclopentylamino)pyrimidin-4-yl]-2-phenyl-pyrazolo[1,5-a]pyridin-7-amine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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