PubChemLite - 2-(4-chlorophenyl)-n-cyclopentyl-4-[2-(cyclopentylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-7-amine (C27H29ClN6)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C27H29ClN6/c28-19-11-9-18(10-12-19)24-17-25-22(13-14-26(34(25)33-24)30-20-5-1-2-6-20)23-15-16-29-27(32-23)31-21-7-3-4-8-21/h9-17,20-21,30H,1-8H2,(H,29,31,32)

InChIKey

JLISJCAKPGYJCX-UHFFFAOYSA-N

Compound name

2-(4-chlorophenyl)-N-cyclopentyl-4-[2-(cyclopentylamino)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]+	473.22151	208.5
[M+Na]+	495.20345	214.0
[M-H]-	471.20695	220.2
[M+NH4]+	490.24805	216.6
[M+K]+	511.17739	205.2
[M+H-H2O]+	455.21149	195.3
[M+HCOO]-	517.21243	222.0
[M+CH3COO]-	531.22808	215.6
[M+Na-2H]-	493.18890	204.4
[M]+	472.21368	206.8
[M]-	472.21478	206.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

473.22151

208.5

[M+Na]+

495.20345

214.0

[M-H]-

471.20695

220.2

[M+NH4]+

490.24805

216.6

[M+K]+

511.17739

205.2

[M+H-H2O]+

455.21149

195.3

[M+HCOO]-

517.21243

222.0

[M+CH3COO]-

531.22808

215.6

[M+Na-2H]-

493.18890

204.4

[M]+

472.21368

206.8

[M]-

472.21478

206.8

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

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

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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