PubChemLite - N-cyclopentyl-4-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-phenoxyphenyl)pyrazolo[1,5-a]pyridin-7-amine (C33H34N6O)

Structural Information

Molecular Formula

SMILES

C1CCC(C1)NC2=CC=C(C3=CC(=NN23)C4=CC=C(C=C4)OC5=CC=CC=C5)C6=NC(=NC=C6)NC7CCCC7

InChI

InChI=1S/C33H34N6O/c1-2-12-26(13-3-1)40-27-16-14-23(15-17-27)30-22-31-28(18-19-32(39(31)38-30)35-24-8-4-5-9-24)29-20-21-34-33(37-29)36-25-10-6-7-11-25/h1-3,12-22,24-25,35H,4-11H2,(H,34,36,37)

InChIKey

MCZQDADSEPUPOH-UHFFFAOYSA-N

Compound name

N-cyclopentyl-4-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-phenoxyphenyl)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]+	531.28668	214.3
[M+Na]+	553.26862	217.1
[M-H]-	529.27212	228.9
[M+NH4]+	548.31322	218.3
[M+K]+	569.24256	208.8
[M+H-H2O]+	513.27666	200.5
[M+HCOO]-	575.27760	231.5
[M+CH3COO]-	589.29325	220.3
[M+Na-2H]-	551.25407	210.6
[M]+	530.27885	210.8
[M]-	530.27995	210.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

531.28668

214.3

[M+Na]+

553.26862

217.1

[M-H]-

529.27212

228.9

[M+NH4]+

548.31322

218.3

[M+K]+

569.24256

208.8

[M+H-H2O]+

513.27666

200.5

[M+HCOO]-

575.27760

231.5

[M+CH3COO]-

589.29325

220.3

[M+Na-2H]-

551.25407

210.6

[M]+

530.27885

210.8

[M]-

530.27995

210.8

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

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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